(3S)-1-[2-[(2-methyl-5-nitro-phenyl)amino]-2-oxidanylidene-ethyl]piperidine-3-carboxylic acid

Systemtic Name: (3S)-1-[2-[(2-methyl-5-nitro-phenyl)amino]-2-oxidanylidene-ethyl]piperidine-3-carboxylic acid Openeye Name: (3S)-1-[2-(2-methyl-5-nitro-anilino)-2-oxo-ethyl]piperidine-3-carboxylic acid CAS Name: (3S)-1-[2-(2-methyl-5-nitroanilino)-2-oxoethyl]-3-piperidinecarboxylic acid IUPAC Name: (3S)-1-[2-(2-methyl-5-nitroanilino)-2-oxoethyl]piperidine-3-carboxylic acid Traditional Name: (3S)-1-[2-keto-2-(2-methyl-5-nitro-anilino)ethyl]nipecotic 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)CN2CCCC(C2)C(=O)O

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)CN2CCC[C@@H](C2)C(=O)O

InChI

InChI=1S/C15H19N3O5/c1-10-4-5-12(18(22)23)7-13(10)16-14(19)9-17-6-2-3-11(8-17)15(20)21/h4-5,7,11H,2-3,6,8-9H2,1H3,(H,16,19)(H,20,21)/t11-/m0/s1