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

Systemtic Name: (phenylmethyl) 4-[(4-aminophenyl)amino]-3-nitro-benzenesulfonate Openeye Name: benzyl 4-(4-aminoanilino)-3-nitro-benzenesulfonate CAS Name: 4-(4-aminoanilino)-3-nitrobenzenesulfonic acid (phenylmethyl) ester IUPAC Name: benzyl 4-(4-aminoanilino)-3-nitrobenzenesulfonate Traditional Name: 4-(4-aminoanilino)-3-nitro-benzenesulfonic acid benzyl ester Formula: C19H17N3O5S MolecularWeight: 399.42038

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H17N3O5S/c20-15-6-8-16(9-7-15)21-18-11-10-17(12-19(18)22(23)24)28(25,26)27-13-14-4-2-1-3-5-14/h1-12,21H,13,20H2