4-[(2-methyl-3-nitro-phenyl)amino]butanoate

Systemtic Name: 4-[(2-methyl-3-nitro-phenyl)amino]butanoate Openeye Name: 4-(2-methyl-3-nitro-anilino)butanoate CAS Name: 4-(2-methyl-3-nitroanilino)butanoate IUPAC Name: 4-(2-methyl-3-nitroanilino)butanoate Traditional Name: 4-(2-methyl-3-nitro-anilino)butyrate Formula: C11H13N2O4- MolecularWeight: 237.23192

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H14N2O4/c1-8-9(12-7-3-6-11(14)15)4-2-5-10(8)13(16)17/h2,4-5,12H,3,6-7H2,1H3,(H,14,15)/p-1