[1-oxidanylidene-1-(phenethylamino)propan-2-yl] (E)-3-(4-chloranyl-3-nitro-phenyl)prop-2-enoate

Systemtic Name: [1-oxidanylidene-1-(phenethylamino)propan-2-yl] (E)-3-(4-chloranyl-3-nitro-phenyl)prop-2-enoate Openeye Name: [1-methyl-2-oxo-2-(phenethylamino)ethyl] (E)-3-(4-chloro-3-nitro-phenyl)prop-2-enoate CAS Name: (E)-3-(4-chloro-3-nitrophenyl)-2-propenoic acid [1-oxo-1-(phenethylamino)propan-2-yl] ester IUPAC Name: [1-oxo-1-(phenethylamino)propan-2-yl] (E)-3-(4-chloro-3-nitrophenyl)prop-2-enoate Traditional Name: (E)-3-(4-chloro-3-nitro-phenyl)acrylic acid [2-keto-1-methyl-2-(phenethylamino)ethyl] ester Formula: C20H19ClN2O5 MolecularWeight: 402.82826

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCCC1=CC=CC=C1)OC(=O)C=CC2=CC(=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)NCCC1=CC=CC=C1)OC(=O)/C=C/C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C20H19ClN2O5/c1-14(20(25)22-12-11-15-5-3-2-4-6-15)28-19(24)10-8-16-7-9-17(21)18(13-16)23(26)27/h2-10,13-14H,11-12H2,1H3,(H,22,25)/b10-8+