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

Systemtic Name: [2-oxidanylidene-3-[(phenylmethyl)carbamoyl]chromen-7-yl] 4-chloranyl-3-nitro-benzoate Openeye Name: [3-(benzylcarbamoyl)-2-oxo-chromen-7-yl] 4-chloro-3-nitro-benzoate CAS Name: 4-chloro-3-nitrobenzoic acid [2-oxo-3-[oxo-[(phenylmethyl)amino]methyl]-1-benzopyran-7-yl] ester IUPAC Name: [3-(benzylcarbamoyl)-2-oxochromen-7-yl] 4-chloro-3-nitrobenzoate Traditional Name: 4-chloro-3-nitro-benzoic acid [3-(benzylcarbamoyl)-2-keto-chromen-7-yl] ester Formula: C24H15ClN2O7 MolecularWeight: 478.8381

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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(=C(C=C4)Cl)[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(=C(C=C4)Cl)[N+](=O)[O-])OC2=O

InChI

InChI=1S/C24H15ClN2O7/c25-19-9-7-16(11-20(19)27(31)32)23(29)33-17-8-6-15-10-18(24(30)34-21(15)12-17)22(28)26-13-14-4-2-1-3-5-14/h1-12H,13H2,(H,26,28)