[(2S)-1-(methylamino)-1-oxidanylidene-propan-2-yl] (E)-3-(4-nitrophenyl)prop-2-enoate

Systemtic Name: [(2S)-1-(methylamino)-1-oxidanylidene-propan-2-yl] (E)-3-(4-nitrophenyl)prop-2-enoate Openeye Name: [(1S)-1-methyl-2-(methylamino)-2-oxo-ethyl] (E)-3-(4-nitrophenyl)prop-2-enoate CAS Name: (E)-3-(4-nitrophenyl)-2-propenoic acid [(2S)-1-(methylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(methylamino)-1-oxopropan-2-yl] (E)-3-(4-nitrophenyl)prop-2-enoate Traditional Name: (E)-3-(4-nitrophenyl)acrylic acid [(1S)-2-keto-1-methyl-2-(methylamino)ethyl] ester Formula: C13H14N2O5 MolecularWeight: 278.26066

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC)OC(=O)C=CC1=CC=C(C=C1)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C13H14N2O5/c1-9(13(17)14-2)20-12(16)8-5-10-3-6-11(7-4-10)15(18)19/h3-9H,1-2H3,(H,14,17)/b8-5+/t9-/m0/s1