2-[(3-chloranyl-4-methyl-phenyl)amino]-3,5-dinitro-benzoic acid

Systemtic Name: 2-[(3-chloranyl-4-methyl-phenyl)amino]-3,5-dinitro-benzoic acid Openeye Name: 2-(3-chloro-4-methyl-anilino)-3,5-dinitro-benzoic acid CAS Name: 2-(3-chloro-4-methylanilino)-3,5-dinitrobenzoic acid IUPAC Name: 2-(3-chloro-4-methylanilino)-3,5-dinitrobenzoic acid Traditional Name: 2-(3-chloro-4-methyl-anilino)-3,5-dinitro-benzoic acid Formula: C14H10ClN3O6 MolecularWeight: 351.6987

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC2=C(C=C(C=C2C(=O)O)[N+](=O)[O-])[N+](=O)[O-])Cl

Isomeric SMILES

CC1=C(C=C(C=C1)NC2=C(C=C(C=C2C(=O)O)[N+](=O)[O-])[N+](=O)[O-])Cl

InChI

InChI=1S/C14H10ClN3O6/c1-7-2-3-8(4-11(7)15)16-13-10(14(19)20)5-9(17(21)22)6-12(13)18(23)24/h2-6,16H,1H3,(H,19,20)