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

Systemtic Name: [1-(cyclohexylcarbamoylamino)-1-oxidanylidene-propan-2-yl] (E)-3-(4-chloranyl-3-nitro-phenyl)prop-2-enoate Openeye Name: [2-(cyclohexylcarbamoylamino)-1-methyl-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-[[(cyclohexylamino)-oxomethyl]amino]-1-oxopropan-2-yl] ester IUPAC Name: [1-(cyclohexylcarbamoylamino)-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-(cyclohexylcarbamoylamino)-2-keto-1-methyl-ethyl] ester Formula: C19H22ClN3O6 MolecularWeight: 423.84748

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)NC1CCCCC1)OC(=O)C=CC2=CC(=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)NC(=O)NC1CCCCC1)OC(=O)/C=C/C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C19H22ClN3O6/c1-12(18(25)22-19(26)21-14-5-3-2-4-6-14)29-17(24)10-8-13-7-9-15(20)16(11-13)23(27)28/h7-12,14H,2-6H2,1H3,(H2,21,22,25,26)/b10-8+