1-[2-[(2-methyl-5-nitro-phenyl)amino]-2-oxidanylidene-ethyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[2-[(2-methyl-5-nitro-phenyl)amino]-2-oxidanylidene-ethyl]piperidine-4-carboxylic acid Openeye Name: 1-[2-(2-methyl-5-nitro-anilino)-2-oxo-ethyl]piperidine-4-carboxylic acid CAS Name: 1-[2-(2-methyl-5-nitroanilino)-2-oxoethyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[2-(2-methyl-5-nitroanilino)-2-oxoethyl]piperidine-4-carboxylic acid Traditional Name: 1-[2-keto-2-(2-methyl-5-nitro-anilino)ethyl]isonipecotic acid Formula: C15H19N3O5 MolecularWeight: 321.32846

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)CN2CCC(CC2)C(=O)O

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)CN2CCC(CC2)C(=O)O

InChI

InChI=1S/C15H19N3O5/c1-10-2-3-12(18(22)23)8-13(10)16-14(19)9-17-6-4-11(5-7-17)15(20)21/h2-3,8,11H,4-7,9H2,1H3,(H,16,19)(H,20,21)