4-[(2-methyl-3-nitro-phenyl)amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[(2-methyl-3-nitro-phenyl)amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-(2-methyl-3-nitro-anilino)-4-oxo-butanoic acid CAS Name: 4-(2-methyl-3-nitroanilino)-4-oxobutanoic acid IUPAC Name: 4-(2-methyl-3-nitroanilino)-4-oxobutanoic acid Traditional Name: 4-keto-4-(2-methyl-3-nitro-anilino)butyric acid Formula: C11H12N2O5 MolecularWeight: 252.22338

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])NC(=O)CCC(=O)O

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])NC(=O)CCC(=O)O

InChI

InChI=1S/C11H12N2O5/c1-7-8(3-2-4-9(7)13(17)18)12-10(14)5-6-11(15)16/h2-4H,5-6H2,1H3,(H,12,14)(H,15,16)