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N-[(Z)-[2-(N-benzamidoanilino)-2-keto-1-phenyl-ethylidene]amino]-4-nitro-benzamide
SpectraBase Compound ID CLbTzmypKYu
InChI InChI=1S/C28H21N5O5/c34-26(22-16-18-24(19-17-22)33(37)38)30-29-25(20-10-4-1-5-11-20)28(36)32(23-14-8-3-9-15-23)31-27(35)21-12-6-2-7-13-21/h1-19H,(H,30,34)(H,31,35)/b29-25-
InChIKey KXFPSPISAXUSSC-GNVQSUKOSA-N
Mol Weight 507.51 g/mol
Molecular Formula C28H21N5O5
Exact Mass 507.154269 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID B8VnYYn1HSH
Name N-[(Z)-[2-(N-Benzamidoanilino)-2-keto-1-phenyl-ethylidene]amino]-4-nitro-benzamide
Comments Computed using HOSE algorithm
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Exact Mass 507.154268791 u
Formula C28H21N5O5
InChI InChI=1S/C28H21N5O5/c34-26(22-16-18-24(19-17-22)33(37)38)30-29-25(20-10-4-1-5-11-20)28(36)32(23-14-8-3-9-15-23)31-27(35)21-12-6-2-7-13-21/h1-19H,(H,30,34)(H,31,35)/b29-25-
InChIKey KXFPSPISAXUSSC-GNVQSUKOSA-N
Molecular Weight 507.506 g/mol
SMILES C(\C(=N/NC(C1=CC=C(N(=O)=O)C=C1)=O)C=1C=CC=CC1)(N(NC(=O)C1=CC=CC=C1)C1=CC=CC=C1)=O