butyl 4-[(4-aminophenyl)amino]-3-nitro-benzenesulfonate

Systemtic Name: butyl 4-[(4-aminophenyl)amino]-3-nitro-benzenesulfonate Openeye Name: butyl 4-(4-aminoanilino)-3-nitro-benzenesulfonate CAS Name: 4-(4-aminoanilino)-3-nitrobenzenesulfonic acid butyl ester IUPAC Name: butyl 4-(4-aminoanilino)-3-nitrobenzenesulfonate Traditional Name: 4-(4-aminoanilino)-3-nitro-benzenesulfonic acid butyl ester Formula: C16H19N3O5S MolecularWeight: 365.40416

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19N3O5S/c1-2-3-10-24-25(22,23)14-8-9-15(16(11-14)19(20)21)18-13-6-4-12(17)5-7-13/h4-9,11,18H,2-3,10,17H2,1H3