aniline; 3-nitro-5-(phenylcarbamoyl)benzenesulfonic acid

Systemtic Name: aniline; 3-nitro-5-(phenylcarbamoyl)benzenesulfonic acid Openeye Name: aniline; 3-nitro-5-(phenylcarbamoyl)benzenesulfonic acid CAS Name: aniline; 3-[anilino(oxo)methyl]-5-nitrobenzenesulfonic acid IUPAC Name: aniline; 3-nitro-5-(phenylcarbamoyl)benzenesulfonic acid Traditional Name: 3-nitro-5-(phenylcarbamoyl)besylic acid; phenylamine Formula: C19H17N3O6S MolecularWeight: 415.41978

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N.C1=CC=C(C=C1)NC(=O)C2=CC(=CC(=C2)S(=O)(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)N.C1=CC=C(C=C1)NC(=O)C2=CC(=CC(=C2)S(=O)(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C13H10N2O6S.C6H7N/c16-13(14-10-4-2-1-3-5-10)9-6-11(15(17)18)8-12(7-9)22(19,20)21;7-6-4-2-1-3-5-6/h1-8H,(H,14,16)(H,19,20,21);1-5H,7H2