[2-[(2-cyano-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 4-chloranyl-3-sulfamoyl-benzoate

Systemtic Name: [2-[(2-cyano-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 4-chloranyl-3-sulfamoyl-benzoate Openeye Name: [2-(2-cyano-4-nitro-anilino)-2-oxo-ethyl] 4-chloro-3-sulfamoyl-benzoate CAS Name: 4-chloro-3-sulfamoylbenzoic acid [2-(2-cyano-4-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyano-4-nitroanilino)-2-oxoethyl] 4-chloro-3-sulfamoylbenzoate Traditional Name: 4-chloro-3-sulfamoyl-benzoic acid [2-(2-cyano-4-nitro-anilino)-2-keto-ethyl] ester Formula: C16H11ClN4O7S MolecularWeight: 438.79914

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H11ClN4O7S/c17-12-3-1-9(6-14(12)29(19,26)27)16(23)28-8-15(22)20-13-4-2-11(21(24)25)5-10(13)7-18/h1-6H,8H2,(H,20,22)(H2,19,26,27)