(2S)-5-[(2-nitrophenyl)amino]-5-oxidanylidene-2-propan-2-yl-pentanoic acid

Systemtic Name: (2S)-5-[(2-nitrophenyl)amino]-5-oxidanylidene-2-propan-2-yl-pentanoic acid Openeye Name: (2S)-2-isopropyl-5-(2-nitroanilino)-5-oxo-pentanoic acid CAS Name: (2S)-5-(2-nitroanilino)-5-oxo-2-propan-2-ylpentanoic acid IUPAC Name: (2S)-5-(2-nitroanilino)-5-oxo-2-propan-2-ylpentanoic acid Traditional Name: (2S)-2-isopropyl-5-keto-5-(2-nitroanilino)valeric acid Formula: C14H18N2O5 MolecularWeight: 294.30312

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18N2O5/c1-9(2)10(14(18)19)7-8-13(17)15-11-5-3-4-6-12(11)16(20)21/h3-6,9-10H,7-8H2,1-2H3,(H,15,17)(H,18,19)/t10-/m0/s1