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

Systemtic Name: 4-[(4-azanyl-3-methyl-phenyl)amino]-3,5-dinitro-benzoic acid Openeye Name: 4-(4-amino-3-methyl-anilino)-3,5-dinitro-benzoic acid CAS Name: 4-(4-amino-3-methylanilino)-3,5-dinitrobenzoic acid IUPAC Name: 4-(4-amino-3-methylanilino)-3,5-dinitrobenzoic acid Traditional Name: 4-(4-amino-3-methyl-anilino)-3,5-dinitro-benzoic acid Formula: C14H12N4O6 MolecularWeight: 332.26828

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H12N4O6/c1-7-4-9(2-3-10(7)15)16-13-11(17(21)22)5-8(14(19)20)6-12(13)18(23)24/h2-6,16H,15H2,1H3,(H,19,20)