4-[[4-(methylamino)phenyl]amino]-3,5-dinitro-benzenesulfonic acid

Systemtic Name: 4-[[4-(methylamino)phenyl]amino]-3,5-dinitro-benzenesulfonic acid Openeye Name: 4-[4-(methylamino)anilino]-3,5-dinitro-benzenesulfonic acid CAS Name: 4-[4-(methylamino)anilino]-3,5-dinitrobenzenesulfonic acid IUPAC Name: 4-[4-(methylamino)anilino]-3,5-dinitrobenzenesulfonic acid Traditional Name: 4-[4-(methylamino)anilino]-3,5-dinitro-besylic acid Formula: C13H12N4O7S MolecularWeight: 368.32198

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=CC=C(C=C1)NC2=C(C=C(C=C2[N+](=O)[O-])S(=O)(=O)O)[N+](=O)[O-]

Isomeric SMILES

CNC1=CC=C(C=C1)NC2=C(C=C(C=C2[N+](=O)[O-])S(=O)(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C13H12N4O7S/c1-14-8-2-4-9(5-3-8)15-13-11(16(18)19)6-10(25(22,23)24)7-12(13)17(20)21/h2-7,14-15H,1H3,(H,22,23,24)