[2-[2-[(4-nitrophenyl)amino]ethylamino]-2-oxidanylidene-ethyl] 4-chloranyl-2-oxidanyl-benzoate

Systemtic Name: [2-[2-[(4-nitrophenyl)amino]ethylamino]-2-oxidanylidene-ethyl] 4-chloranyl-2-oxidanyl-benzoate Openeye Name: [2-[2-(4-nitroanilino)ethylamino]-2-oxo-ethyl] 4-chloro-2-hydroxy-benzoate CAS Name: 4-chloro-2-hydroxybenzoic acid [2-[2-(4-nitroanilino)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[2-(4-nitroanilino)ethylamino]-2-oxoethyl] 4-chloro-2-hydroxybenzoate Traditional Name: 4-chloro-2-hydroxy-benzoic acid [2-keto-2-[2-(4-nitroanilino)ethylamino]ethyl] ester Formula: C17H16ClN3O6 MolecularWeight: 393.77844

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NCCNC(=O)COC(=O)C2=C(C=C(C=C2)Cl)O)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1NCCNC(=O)COC(=O)C2=C(C=C(C=C2)Cl)O)[N+](=O)[O-]

InChI

InChI=1S/C17H16ClN3O6/c18-11-1-6-14(15(22)9-11)17(24)27-10-16(23)20-8-7-19-12-2-4-13(5-3-12)21(25)26/h1-6,9,19,22H,7-8,10H2,(H,20,23)