[2-(2-methylpropylcarbamoylamino)-2-oxidanylidene-ethyl] (E)-3-(4-chloranyl-3-nitro-phenyl)prop-2-enoate

Systemtic Name: [2-(2-methylpropylcarbamoylamino)-2-oxidanylidene-ethyl] (E)-3-(4-chloranyl-3-nitro-phenyl)prop-2-enoate Openeye Name: [2-(isobutylcarbamoylamino)-2-oxo-ethyl] (E)-3-(4-chloro-3-nitro-phenyl)prop-2-enoate CAS Name: (E)-3-(4-chloro-3-nitrophenyl)-2-propenoic acid [2-[[(2-methylpropylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(2-methylpropylcarbamoylamino)-2-oxoethyl] (E)-3-(4-chloro-3-nitrophenyl)prop-2-enoate Traditional Name: (E)-3-(4-chloro-3-nitro-phenyl)acrylic acid [2-(isobutylcarbamoylamino)-2-keto-ethyl] ester Formula: C16H18ClN3O6 MolecularWeight: 383.78362

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18ClN3O6/c1-10(2)8-18-16(23)19-14(21)9-26-15(22)6-4-11-3-5-12(17)13(7-11)20(24)25/h3-7,10H,8-9H2,1-2H3,(H2,18,19,21,23)/b6-4+