[2-[(3-chloranyl-4-methoxy-phenyl)amino]-2-oxidanylidene-ethyl] 4-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanyl]-3-nitro-benzoate

Systemtic Name: [2-[(3-chloranyl-4-methoxy-phenyl)amino]-2-oxidanylidene-ethyl] 4-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanyl]-3-nitro-benzoate Openeye Name: [2-(3-chloro-4-methoxy-anilino)-2-oxo-ethyl] 4-(1-methyltetrazol-5-yl)sulfanyl-3-nitro-benzoate CAS Name: 4-[(1-methyl-5-tetrazolyl)thio]-3-nitrobenzoic acid [2-(3-chloro-4-methoxyanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-chloro-4-methoxyanilino)-2-oxoethyl] 4-(1-methyltetrazol-5-yl)sulfanyl-3-nitrobenzoate Traditional Name: 4-[(1-methyltetrazol-5-yl)thio]-3-nitro-benzoic acid [2-(3-chloro-4-methoxy-anilino)-2-keto-ethyl] ester Formula: C18H15ClN6O6S MolecularWeight: 478.8663

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=N1)SC2=C(C=C(C=C2)C(=O)OCC(=O)NC3=CC(=C(C=C3)OC)Cl)[N+](=O)[O-]

Isomeric SMILES

CN1C(=NN=N1)SC2=C(C=C(C=C2)C(=O)OCC(=O)NC3=CC(=C(C=C3)OC)Cl)[N+](=O)[O-]

InChI

InChI=1S/C18H15ClN6O6S/c1-24-18(21-22-23-24)32-15-6-3-10(7-13(15)25(28)29)17(27)31-9-16(26)20-11-4-5-14(30-2)12(19)8-11/h3-8H,9H2,1-2H3,(H,20,26)