propyl 4-[(4-methylsulfonyl-2-nitro-phenyl)amino]benzoate

Systemtic Name: propyl 4-[(4-methylsulfonyl-2-nitro-phenyl)amino]benzoate Openeye Name: propyl 4-(4-methylsulfonyl-2-nitro-anilino)benzoate CAS Name: 4-(4-methylsulfonyl-2-nitroanilino)benzoic acid propyl ester IUPAC Name: propyl 4-(4-methylsulfonyl-2-nitroanilino)benzoate Traditional Name: 4-(4-mesyl-2-nitro-anilino)benzoic acid propyl ester Formula: C17H18N2O6S MolecularWeight: 378.39962

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18N2O6S/c1-3-10-25-17(20)12-4-6-13(7-5-12)18-15-9-8-14(26(2,23)24)11-16(15)19(21)22/h4-9,11,18H,3,10H2,1-2H3