[2-oxidanylidene-3-[(phenylmethyl)carbamoyl]chromen-7-yl] 4-methyl-3,5-dinitro-benzoate

Systemtic Name: [2-oxidanylidene-3-[(phenylmethyl)carbamoyl]chromen-7-yl] 4-methyl-3,5-dinitro-benzoate Openeye Name: [3-(benzylcarbamoyl)-2-oxo-chromen-7-yl] 4-methyl-3,5-dinitro-benzoate CAS Name: 4-methyl-3,5-dinitrobenzoic acid [2-oxo-3-[oxo-[(phenylmethyl)amino]methyl]-1-benzopyran-7-yl] ester IUPAC Name: [3-(benzylcarbamoyl)-2-oxochromen-7-yl] 4-methyl-3,5-dinitrobenzoate Traditional Name: 4-methyl-3,5-dinitro-benzoic acid [3-(benzylcarbamoyl)-2-keto-chromen-7-yl] ester Formula: C25H17N3O9 MolecularWeight: 503.41718

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1[N+](=O)[O-])C(=O)OC2=CC3=C(C=C2)C=C(C(=O)O3)C(=O)NCC4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1[N+](=O)[O-])C(=O)OC2=CC3=C(C=C2)C=C(C(=O)O3)C(=O)NCC4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C25H17N3O9/c1-14-20(27(32)33)10-17(11-21(14)28(34)35)24(30)36-18-8-7-16-9-19(25(31)37-22(16)12-18)23(29)26-13-15-5-3-2-4-6-15/h2-12H,13H2,1H3,(H,26,29)