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

Systemtic Name: (3R)-3-methyl-5-[(4-nitrophenyl)amino]-5-oxidanylidene-pentanoic acid Openeye Name: (3R)-3-methyl-5-(4-nitroanilino)-5-oxo-pentanoic acid CAS Name: (3R)-3-methyl-5-(4-nitroanilino)-5-oxopentanoic acid IUPAC Name: (3R)-3-methyl-5-(4-nitroanilino)-5-oxopentanoic acid Traditional Name: (3R)-5-keto-3-methyl-5-(4-nitroanilino)valeric acid Formula: C12H14N2O5 MolecularWeight: 266.24996

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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)/t8-/m1/s1