[(2S)-1-[(2-methoxy-4-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl] 2-ethoxyethanoate

Systemtic Name: [(2S)-1-[(2-methoxy-4-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl] 2-ethoxyethanoate Openeye Name: [(1S)-2-(2-methoxy-4-nitro-anilino)-1-methyl-2-oxo-ethyl] 2-ethoxyacetate CAS Name: 2-ethoxyacetic acid [(2S)-1-(2-methoxy-4-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(2-methoxy-4-nitroanilino)-1-oxopropan-2-yl] 2-ethoxyacetate Traditional Name: 2-ethoxyacetic acid [(1S)-2-keto-2-(2-methoxy-4-nitro-anilino)-1-methyl-ethyl] ester Formula: C14H18N2O7 MolecularWeight: 326.30192

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18N2O7/c1-4-22-8-13(17)23-9(2)14(18)15-11-6-5-10(16(19)20)7-12(11)21-3/h5-7,9H,4,8H2,1-3H3,(H,15,18)/t9-/m0/s1