propyl 4-(4-aminophenyl)sulfonyl-3-nitro-benzoate

Systemtic Name: propyl 4-(4-aminophenyl)sulfonyl-3-nitro-benzoate Openeye Name: propyl 4-(4-aminophenyl)sulfonyl-3-nitro-benzoate CAS Name: 4-(4-aminophenyl)sulfonyl-3-nitrobenzoic acid propyl ester IUPAC Name: propyl 4-(4-aminophenyl)sulfonyl-3-nitrobenzoate Traditional Name: 3-nitro-4-sulfanilyl-benzoic acid propyl ester Formula: C16H16N2O6S MolecularWeight: 364.37304

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16N2O6S/c1-2-9-24-16(19)11-3-8-15(14(10-11)18(20)21)25(22,23)13-6-4-12(17)5-7-13/h3-8,10H,2,9,17H2,1H3