[2-[(2-methyl-6-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 4-(prop-2-ynylsulfamoyl)benzoate

Systemtic Name: [2-[(2-methyl-6-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 4-(prop-2-ynylsulfamoyl)benzoate Openeye Name: [2-(2-methyl-6-nitro-anilino)-2-oxo-ethyl] 4-(prop-2-ynylsulfamoyl)benzoate CAS Name: 4-(prop-2-ynylsulfamoyl)benzoic acid [2-(2-methyl-6-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-methyl-6-nitroanilino)-2-oxoethyl] 4-(prop-2-ynylsulfamoyl)benzoate Traditional Name: 4-(propargylsulfamoyl)benzoic acid [2-keto-2-(2-methyl-6-nitro-anilino)ethyl] ester Formula: C19H17N3O7S MolecularWeight: 431.41918

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)[N+](=O)[O-])NC(=O)COC(=O)C2=CC=C(C=C2)S(=O)(=O)NCC#C

Isomeric SMILES

CC1=C(C(=CC=C1)[N+](=O)[O-])NC(=O)COC(=O)C2=CC=C(C=C2)S(=O)(=O)NCC#C

InChI

InChI=1S/C19H17N3O7S/c1-3-11-20-30(27,28)15-9-7-14(8-10-15)19(24)29-12-17(23)21-18-13(2)5-4-6-16(18)22(25)26/h1,4-10,20H,11-12H2,2H3,(H,21,23)