methyl 4-methyl-3-[(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenyl)amino]benzoate

Systemtic Name: methyl 4-methyl-3-[(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenyl)amino]benzoate Openeye Name: methyl 4-methyl-3-(2-nitro-4-pyrrolidin-1-ylsulfonyl-anilino)benzoate CAS Name: 4-methyl-3-[2-nitro-4-(1-pyrrolidinylsulfonyl)anilino]benzoic acid methyl ester IUPAC Name: methyl 4-methyl-3-(2-nitro-4-pyrrolidin-1-ylsulfonylanilino)benzoate Traditional Name: 4-methyl-3-(2-nitro-4-pyrrolidinosulfonyl-anilino)benzoic acid methyl ester Formula: C19H21N3O6S MolecularWeight: 419.45154

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC)NC2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)NC2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)[N+](=O)[O-]

InChI

InChI=1S/C19H21N3O6S/c1-13-5-6-14(19(23)28-2)11-17(13)20-16-8-7-15(12-18(16)22(24)25)29(26,27)21-9-3-4-10-21/h5-8,11-12,20H,3-4,9-10H2,1-2H3