[(2S)-1-(4-ethoxyphenyl)-1-oxidanylidene-propan-2-yl] 4-(methylamino)-3-nitro-benzoate

Systemtic Name: [(2S)-1-(4-ethoxyphenyl)-1-oxidanylidene-propan-2-yl] 4-(methylamino)-3-nitro-benzoate Openeye Name: [(1S)-2-(4-ethoxyphenyl)-1-methyl-2-oxo-ethyl] 4-(methylamino)-3-nitro-benzoate CAS Name: 4-(methylamino)-3-nitrobenzoic acid [(2S)-1-(4-ethoxyphenyl)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(4-ethoxyphenyl)-1-oxopropan-2-yl] 4-(methylamino)-3-nitrobenzoate Traditional Name: 4-(methylamino)-3-nitro-benzoic acid [(1S)-2-keto-1-methyl-2-p-phenetyl-ethyl] ester Formula: C19H20N2O6 MolecularWeight: 372.3719

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)C(C)OC(=O)C2=CC(=C(C=C2)NC)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)[C@H](C)OC(=O)C2=CC(=C(C=C2)NC)[N+](=O)[O-]

InChI

InChI=1S/C19H20N2O6/c1-4-26-15-8-5-13(6-9-15)18(22)12(2)27-19(23)14-7-10-16(20-3)17(11-14)21(24)25/h5-12,20H,4H2,1-3H3/t12-/m0/s1