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3-(1,3-Dioxo-1H,3H-benzo[de]isoquinolin-2-yl)-N-(3-nitro-phenyl)-benzamide
SpectraBase Compound ID G0bynQDJcCd
InChI InChI=1S/C25H15N3O5/c29-23(26-17-8-4-10-19(14-17)28(32)33)16-7-1-9-18(13-16)27-24(30)20-11-2-5-15-6-3-12-21(22(15)20)25(27)31/h1-14H,(H,26,29)
InChIKey CGHBHGZVEUMQSJ-UHFFFAOYSA-N
Mol Weight 437.41 g/mol
Molecular Formula C25H15N3O5
Exact Mass 437.101171 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LafZfFONT4j
Name 3-(1,3-Dioxo-1H,3H-benzo[de]isoquinolin-2-yl)-N-(3-nitro-phenyl)-benzamide
Comments Computed using HOSE algorithm
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Exact Mass 437.101170590 u
Formula C25H15N3O5
InChI InChI=1S/C25H15N3O5/c29-23(26-17-8-4-10-19(14-17)28(32)33)16-7-1-9-18(13-16)27-24(30)20-11-2-5-15-6-3-12-21(22(15)20)25(27)31/h1-14H,(H,26,29)
InChIKey CGHBHGZVEUMQSJ-UHFFFAOYSA-N
Molecular Weight 437.411 g/mol
SMILES C1=CC=2C(N(C3=CC(=CC=C3)C(NC3=CC(=CC=C3)N(=O)=O)=O)C(C=3C2C(=C1)C=CC3)=O)=O