(2R)-2-ethyl-5-[(3-nitrophenyl)amino]-5-oxidanylidene-pentanoate

Systemtic Name: (2R)-2-ethyl-5-[(3-nitrophenyl)amino]-5-oxidanylidene-pentanoate Openeye Name: (2R)-2-ethyl-5-(3-nitroanilino)-5-oxo-pentanoate CAS Name: (2R)-2-ethyl-5-(3-nitroanilino)-5-oxopentanoate IUPAC Name: (2R)-2-ethyl-5-(3-nitroanilino)-5-oxopentanoate Traditional Name: (2R)-2-ethyl-5-keto-5-(3-nitroanilino)valerate Formula: C13H15N2O5- MolecularWeight: 279.2686

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(CCC(=O)NC1=CC(=CC=C1)[N+](=O)[O-])C(=O)[O-]

Isomeric SMILES

CC[C@H](CCC(=O)NC1=CC(=CC=C1)[N+](=O)[O-])C(=O)[O-]

InChI

InChI=1S/C13H16N2O5/c1-2-9(13(17)18)6-7-12(16)14-10-4-3-5-11(8-10)15(19)20/h3-5,8-9H,2,6-7H2,1H3,(H,14,16)(H,17,18)/p-1/t9-/m1/s1