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

Systemtic Name: [1-(cyclopentylcarbamoylamino)-1-oxidanylidene-propan-2-yl] (E)-3-(4-chloranyl-3-nitro-phenyl)prop-2-enoate Openeye Name: [2-(cyclopentylcarbamoylamino)-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-[[(cyclopentylamino)-oxomethyl]amino]-1-oxopropan-2-yl] ester IUPAC Name: [1-(cyclopentylcarbamoylamino)-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-(cyclopentylcarbamoylamino)-2-keto-1-methyl-ethyl] ester Formula: C18H20ClN3O6 MolecularWeight: 409.8209

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)NC1CCCC1)OC(=O)C=CC2=CC(=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)NC(=O)NC1CCCC1)OC(=O)/C=C/C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C18H20ClN3O6/c1-11(17(24)21-18(25)20-13-4-2-3-5-13)28-16(23)9-7-12-6-8-14(19)15(10-12)22(26)27/h6-11,13H,2-5H2,1H3,(H2,20,21,24,25)/b9-7+