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

Systemtic Name: [2-oxidanylidene-3-[(phenylmethyl)carbamoyl]chromen-7-yl] 4-methyl-3-nitro-benzoate Openeye Name: [3-(benzylcarbamoyl)-2-oxo-chromen-7-yl] 4-methyl-3-nitro-benzoate CAS Name: 4-methyl-3-nitrobenzoic acid [2-oxo-3-[oxo-[(phenylmethyl)amino]methyl]-1-benzopyran-7-yl] ester IUPAC Name: [3-(benzylcarbamoyl)-2-oxochromen-7-yl] 4-methyl-3-nitrobenzoate Traditional Name: 4-methyl-3-nitro-benzoic acid [3-(benzylcarbamoyl)-2-keto-chromen-7-yl] ester Formula: C25H18N2O7 MolecularWeight: 458.41962

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C25H18N2O7/c1-15-7-8-18(12-21(15)27(31)32)24(29)33-19-10-9-17-11-20(25(30)34-22(17)13-19)23(28)26-14-16-5-3-2-4-6-16/h2-13H,14H2,1H3,(H,26,28)