4-[(4-azanyl-2-methyl-phenyl)amino]-3,5-dinitro-benzenesulfonic acid

Systemtic Name: 4-[(4-azanyl-2-methyl-phenyl)amino]-3,5-dinitro-benzenesulfonic acid Openeye Name: 4-(4-amino-2-methyl-anilino)-3,5-dinitro-benzenesulfonic acid CAS Name: 4-(4-amino-2-methylanilino)-3,5-dinitrobenzenesulfonic acid IUPAC Name: 4-(4-amino-2-methylanilino)-3,5-dinitrobenzenesulfonic acid Traditional Name: 4-(4-amino-2-methyl-anilino)-3,5-dinitro-besylic acid Formula: C13H12N4O7S MolecularWeight: 368.32198

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N)NC2=C(C=C(C=C2[N+](=O)[O-])S(=O)(=O)O)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)N)NC2=C(C=C(C=C2[N+](=O)[O-])S(=O)(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C13H12N4O7S/c1-7-4-8(14)2-3-10(7)15-13-11(16(18)19)5-9(25(22,23)24)6-12(13)17(20)21/h2-6,15H,14H2,1H3,(H,22,23,24)