[(2S)-1-[(2-methoxy-4-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl] 3-(2-ethoxyphenyl)propanoate

Systemtic Name: [(2S)-1-[(2-methoxy-4-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl] 3-(2-ethoxyphenyl)propanoate Openeye Name: [(1S)-2-(2-methoxy-4-nitro-anilino)-1-methyl-2-oxo-ethyl] 3-(2-ethoxyphenyl)propanoate CAS Name: 3-(2-ethoxyphenyl)propanoic acid [(2S)-1-(2-methoxy-4-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(2-methoxy-4-nitroanilino)-1-oxopropan-2-yl] 3-(2-ethoxyphenyl)propanoate Traditional Name: 3-o-phenetylpropionic acid [(1S)-2-keto-2-(2-methoxy-4-nitro-anilino)-1-methyl-ethyl] ester Formula: C21H24N2O7 MolecularWeight: 416.42446

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1CCC(=O)OC(C)C(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])OC

Isomeric SMILES

CCOC1=CC=CC=C1CCC(=O)O[C@@H](C)C(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])OC

InChI

InChI=1S/C21H24N2O7/c1-4-29-18-8-6-5-7-15(18)9-12-20(24)30-14(2)21(25)22-17-11-10-16(23(26)27)13-19(17)28-3/h5-8,10-11,13-14H,4,9,12H2,1-3H3,(H,22,25)/t14-/m0/s1