[2-[(4-chloranyl-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 3,4-bis(oxidanyl)benzoate

Systemtic Name: [2-[(4-chloranyl-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 3,4-bis(oxidanyl)benzoate Openeye Name: [2-(4-chloro-2-nitro-anilino)-2-oxo-ethyl] 3,4-dihydroxybenzoate CAS Name: 3,4-dihydroxybenzoic acid [2-(4-chloro-2-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-chloro-2-nitroanilino)-2-oxoethyl] 3,4-dihydroxybenzoate Traditional Name: 3,4-dihydroxybenzoic acid [2-(4-chloro-2-nitro-anilino)-2-keto-ethyl] ester Formula: C15H11ClN2O7 MolecularWeight: 366.71004

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(=O)OCC(=O)NC2=C(C=C(C=C2)Cl)[N+](=O)[O-])O)O

Isomeric SMILES

C1=CC(=C(C=C1C(=O)OCC(=O)NC2=C(C=C(C=C2)Cl)[N+](=O)[O-])O)O

InChI

InChI=1S/C15H11ClN2O7/c16-9-2-3-10(11(6-9)18(23)24)17-14(21)7-25-15(22)8-1-4-12(19)13(20)5-8/h1-6,19-20H,7H2,(H,17,21)