ethyl 4-[(3-azanyl-4-methyl-phenyl)amino]-3-nitro-benzenesulfonate

Systemtic Name: ethyl 4-[(3-azanyl-4-methyl-phenyl)amino]-3-nitro-benzenesulfonate Openeye Name: ethyl 4-(3-amino-4-methyl-anilino)-3-nitro-benzenesulfonate CAS Name: 4-(3-amino-4-methylanilino)-3-nitrobenzenesulfonic acid ethyl ester IUPAC Name: ethyl 4-(3-amino-4-methylanilino)-3-nitrobenzenesulfonate Traditional Name: 4-(3-amino-4-methyl-anilino)-3-nitro-benzenesulfonic acid ethyl ester Formula: C15H17N3O5S MolecularWeight: 351.37758

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H17N3O5S/c1-3-23-24(21,22)12-6-7-14(15(9-12)18(19)20)17-11-5-4-10(2)13(16)8-11/h4-9,17H,3,16H2,1-2H3