2-[(2-azanyl-4-nitro-phenyl)amino]-5-methyl-benzoic acid

Systemtic Name: 2-[(2-azanyl-4-nitro-phenyl)amino]-5-methyl-benzoic acid Openeye Name: 2-(2-amino-4-nitro-anilino)-5-methyl-benzoic acid CAS Name: 2-(2-amino-4-nitroanilino)-5-methylbenzoic acid IUPAC Name: 2-(2-amino-4-nitroanilino)-5-methylbenzoic acid Traditional Name: 2-(2-amino-4-nitro-anilino)-5-methyl-benzoic acid Formula: C14H13N3O4 MolecularWeight: 287.27072

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H13N3O4/c1-8-2-4-12(10(6-8)14(18)19)16-13-5-3-9(17(20)21)7-11(13)15/h2-7,16H,15H2,1H3,(H,18,19)