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

Systemtic Name: [1-(methylamino)-1-oxidanylidene-propan-2-yl] (E)-3-(4-chloranyl-3-nitro-phenyl)prop-2-enoate Openeye Name: [1-methyl-2-(methylamino)-2-oxo-ethyl] (E)-3-(4-chloro-3-nitro-phenyl)prop-2-enoate CAS Name: (E)-3-(4-chloro-3-nitrophenyl)-2-propenoic acid [1-(methylamino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(methylamino)-1-oxopropan-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-(methylamino)ethyl] ester Formula: C13H13ClN2O5 MolecularWeight: 312.70572

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H13ClN2O5/c1-8(13(18)15-2)21-12(17)6-4-9-3-5-10(14)11(7-9)16(19)20/h3-8H,1-2H3,(H,15,18)/b6-4+