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

Systemtic Name: phenyl 4-[(3-aminophenyl)amino]-3-nitro-benzenesulfonate Openeye Name: phenyl 4-(3-aminoanilino)-3-nitro-benzenesulfonate CAS Name: 4-(3-aminoanilino)-3-nitrobenzenesulfonic acid phenyl ester IUPAC Name: phenyl 4-(3-aminoanilino)-3-nitrobenzenesulfonate Traditional Name: 4-(3-aminoanilino)-3-nitro-benzenesulfonic acid phenyl ester Formula: C18H15N3O5S MolecularWeight: 385.3938

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OS(=O)(=O)C2=CC(=C(C=C2)NC3=CC=CC(=C3)N)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)OS(=O)(=O)C2=CC(=C(C=C2)NC3=CC=CC(=C3)N)[N+](=O)[O-]

InChI

InChI=1S/C18H15N3O5S/c19-13-5-4-6-14(11-13)20-17-10-9-16(12-18(17)21(22)23)27(24,25)26-15-7-2-1-3-8-15/h1-12,20H,19H2