(4R)-4-azaniumyl-5-[(4-nitrophenyl)amino]-5-oxidanylidene-pentanoate

Systemtic Name: (4R)-4-azaniumyl-5-[(4-nitrophenyl)amino]-5-oxidanylidene-pentanoate Openeye Name: (4R)-4-azaniumyl-5-(4-nitroanilino)-5-oxo-pentanoate CAS Name: (4R)-4-ammonio-5-(4-nitroanilino)-5-oxopentanoate IUPAC Name: (4R)-4-azaniumyl-5-(4-nitroanilino)-5-oxopentanoate Traditional Name: (4R)-4-ammonio-5-keto-5-(4-nitroanilino)valerate Formula: C11H13N3O5 MolecularWeight: 267.23802

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC(=O)C(CCC(=O)[O-])[NH3+])[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1NC(=O)[C@@H](CCC(=O)[O-])[NH3+])[N+](=O)[O-]

InChI

InChI=1S/C11H13N3O5/c12-9(5-6-10(15)16)11(17)13-7-1-3-8(4-2-7)14(18)19/h1-4,9H,5-6,12H2,(H,13,17)(H,15,16)/t9-/m1/s1