[2-[(2-methyl-3-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 5-(cyclopropylsulfamoyl)-2-methyl-benzoate

Systemtic Name: [2-[(2-methyl-3-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 5-(cyclopropylsulfamoyl)-2-methyl-benzoate Openeye Name: [2-(2-methyl-3-nitro-anilino)-2-oxo-ethyl] 5-(cyclopropylsulfamoyl)-2-methyl-benzoate CAS Name: 5-(cyclopropylsulfamoyl)-2-methylbenzoic acid [2-(2-methyl-3-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-methyl-3-nitroanilino)-2-oxoethyl] 5-(cyclopropylsulfamoyl)-2-methylbenzoate Traditional Name: 5-(cyclopropylsulfamoyl)-2-methyl-benzoic acid [2-keto-2-(2-methyl-3-nitro-anilino)ethyl] ester Formula: C20H21N3O7S MolecularWeight: 447.46164

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)NC2CC2)C(=O)OCC(=O)NC3=C(C(=CC=C3)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)NC2CC2)C(=O)OCC(=O)NC3=C(C(=CC=C3)[N+](=O)[O-])C

InChI

InChI=1S/C20H21N3O7S/c1-12-6-9-15(31(28,29)22-14-7-8-14)10-16(12)20(25)30-11-19(24)21-17-4-3-5-18(13(17)2)23(26)27/h3-6,9-10,14,22H,7-8,11H2,1-2H3,(H,21,24)