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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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