[2-oxidanylidene-3-[(phenylmethyl)carbamoyl]chromen-7-yl] 3,5-dinitrobenzoate

Systemtic Name: [2-oxidanylidene-3-[(phenylmethyl)carbamoyl]chromen-7-yl] 3,5-dinitrobenzoate Openeye Name: [3-(benzylcarbamoyl)-2-oxo-chromen-7-yl] 3,5-dinitrobenzoate CAS Name: 3,5-dinitrobenzoic acid [2-oxo-3-[oxo-[(phenylmethyl)amino]methyl]-1-benzopyran-7-yl] ester IUPAC Name: [3-(benzylcarbamoyl)-2-oxochromen-7-yl] 3,5-dinitrobenzoate Traditional Name: 3,5-dinitrobenzoic acid [3-(benzylcarbamoyl)-2-keto-chromen-7-yl] ester Formula: C24H15N3O9 MolecularWeight: 489.3906

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=O)C2=CC3=C(C=C(C=C3)OC(=O)C4=CC(=CC(=C4)[N+](=O)[O-])[N+](=O)[O-])OC2=O

Isomeric SMILES

C1=CC=C(C=C1)CNC(=O)C2=CC3=C(C=C(C=C3)OC(=O)C4=CC(=CC(=C4)[N+](=O)[O-])[N+](=O)[O-])OC2=O

InChI

InChI=1S/C24H15N3O9/c28-22(25-13-14-4-2-1-3-5-14)20-10-15-6-7-19(12-21(15)36-24(20)30)35-23(29)16-8-17(26(31)32)11-18(9-16)27(33)34/h1-12H,13H2,(H,25,28)