[2-[(4-aminophenyl)amino]-5-nitro-phenyl] hydrogen sulfate

Systemtic Name: [2-[(4-aminophenyl)amino]-5-nitro-phenyl] hydrogen sulfate Openeye Name: [2-(4-aminoanilino)-5-nitro-phenyl] hydrogen sulfate CAS Name: sulfuric acid [2-(4-aminoanilino)-5-nitrophenyl] ester IUPAC Name: [2-(4-aminoanilino)-5-nitrophenyl] hydrogen sulfate Traditional Name: sulfuric acid [2-(4-aminoanilino)-5-nitro-phenyl] ester Formula: C12H11N3O6S MolecularWeight: 325.29724

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1N)NC2=C(C=C(C=C2)[N+](=O)[O-])OS(=O)(=O)O

Isomeric SMILES

C1=CC(=CC=C1N)NC2=C(C=C(C=C2)[N+](=O)[O-])OS(=O)(=O)O

InChI

InChI=1S/C12H11N3O6S/c13-8-1-3-9(4-2-8)14-11-6-5-10(15(16)17)7-12(11)21-22(18,19)20/h1-7,14H,13H2,(H,18,19,20)