[2-(3-methylbutylcarbamoylamino)-2-oxidanylidene-ethyl] (E)-3-(4-nitrophenyl)prop-2-enoate

Systemtic Name: [2-(3-methylbutylcarbamoylamino)-2-oxidanylidene-ethyl] (E)-3-(4-nitrophenyl)prop-2-enoate Openeye Name: [2-(isopentylcarbamoylamino)-2-oxo-ethyl] (E)-3-(4-nitrophenyl)prop-2-enoate CAS Name: (E)-3-(4-nitrophenyl)-2-propenoic acid [2-[[(3-methylbutylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(3-methylbutylcarbamoylamino)-2-oxoethyl] (E)-3-(4-nitrophenyl)prop-2-enoate Traditional Name: (E)-3-(4-nitrophenyl)acrylic acid [2-(isoamylcarbamoylamino)-2-keto-ethyl] ester Formula: C17H21N3O6 MolecularWeight: 363.36514

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21N3O6/c1-12(2)9-10-18-17(23)19-15(21)11-26-16(22)8-5-13-3-6-14(7-4-13)20(24)25/h3-8,12H,9-11H2,1-2H3,(H2,18,19,21,23)/b8-5+