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

Systemtic Name: [(2S)-1-(ethylamino)-1-oxidanylidene-propan-2-yl] (E)-3-(2-nitrophenyl)prop-2-enoate Openeye Name: [(1S)-2-(ethylamino)-1-methyl-2-oxo-ethyl] (E)-3-(2-nitrophenyl)prop-2-enoate CAS Name: (E)-3-(2-nitrophenyl)-2-propenoic acid [(2S)-1-(ethylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(ethylamino)-1-oxopropan-2-yl] (E)-3-(2-nitrophenyl)prop-2-enoate Traditional Name: (E)-3-(2-nitrophenyl)acrylic acid [(1S)-2-(ethylamino)-2-keto-1-methyl-ethyl] ester Formula: C14H16N2O5 MolecularWeight: 292.28724

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16N2O5/c1-3-15-14(18)10(2)21-13(17)9-8-11-6-4-5-7-12(11)16(19)20/h4-10H,3H2,1-2H3,(H,15,18)/b9-8+/t10-/m0/s1