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

Systemtic Name: 4-methyl-3-[(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenyl)amino]benzoic acid Openeye Name: 4-methyl-3-(2-nitro-4-pyrrolidin-1-ylsulfonyl-anilino)benzoic acid CAS Name: 4-methyl-3-[2-nitro-4-(1-pyrrolidinylsulfonyl)anilino]benzoic acid IUPAC Name: 4-methyl-3-(2-nitro-4-pyrrolidin-1-ylsulfonylanilino)benzoic acid Traditional Name: 4-methyl-3-(2-nitro-4-pyrrolidinosulfonyl-anilino)benzoic acid Formula: C18H19N3O6S MolecularWeight: 405.42496

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19N3O6S/c1-12-4-5-13(18(22)23)10-16(12)19-15-7-6-14(11-17(15)21(24)25)28(26,27)20-8-2-3-9-20/h4-7,10-11,19H,2-3,8-9H2,1H3,(H,22,23)