(3R)-3-methyl-5-[(4-nitrophenyl)amino]-5-oxidanylidene-pentanoate

Systemtic Name: (3R)-3-methyl-5-[(4-nitrophenyl)amino]-5-oxidanylidene-pentanoate Openeye Name: (3R)-3-methyl-5-(4-nitroanilino)-5-oxo-pentanoate CAS Name: (3R)-3-methyl-5-(4-nitroanilino)-5-oxopentanoate IUPAC Name: (3R)-3-methyl-5-(4-nitroanilino)-5-oxopentanoate Traditional Name: (3R)-5-keto-3-methyl-5-(4-nitroanilino)valerate Formula: C12H13N2O5- MolecularWeight: 265.24202

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14N2O5/c1-8(7-12(16)17)6-11(15)13-9-2-4-10(5-3-9)14(18)19/h2-5,8H,6-7H2,1H3,(H,13,15)(H,16,17)/p-1/t8-/m1/s1