[(2R)-1-[(3-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] propanoate

Systemtic Name: [(2R)-1-[(3-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] propanoate Openeye Name: [(1R)-1-methyl-2-(3-nitroanilino)-2-oxo-ethyl] propanoate CAS Name: propanoic acid [(2R)-1-(3-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(3-nitroanilino)-1-oxopropan-2-yl] propanoate Traditional Name: propionic acid [(1R)-2-keto-1-methyl-2-(3-nitroanilino)ethyl] ester Formula: C12H14N2O5 MolecularWeight: 266.24996

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14N2O5/c1-3-11(15)19-8(2)12(16)13-9-5-4-6-10(7-9)14(17)18/h4-8H,3H2,1-2H3,(H,13,16)/t8-/m1/s1