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

Systemtic Name: [2-oxidanylidene-2-(propan-2-ylcarbamoylamino)ethyl] (E)-3-(4-nitrophenyl)prop-2-enoate Openeye Name: [2-(isopropylcarbamoylamino)-2-oxo-ethyl] (E)-3-(4-nitrophenyl)prop-2-enoate CAS Name: (E)-3-(4-nitrophenyl)-2-propenoic acid [2-oxo-2-[[oxo-(propan-2-ylamino)methyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] (E)-3-(4-nitrophenyl)prop-2-enoate Traditional Name: (E)-3-(4-nitrophenyl)acrylic acid [2-(isopropylcarbamoylamino)-2-keto-ethyl] ester Formula: C15H17N3O6 MolecularWeight: 335.31198

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H17N3O6/c1-10(2)16-15(21)17-13(19)9-24-14(20)8-5-11-3-6-12(7-4-11)18(22)23/h3-8,10H,9H2,1-2H3,(H2,16,17,19,21)/b8-5+