prop-1-en-2-yl 4-[(E)-3-(5-nitrocyclohexa-1,5-dien-1-yl)prop-2-enoyl]piperazine-1-carboxylate

Systemtic Name: prop-1-en-2-yl 4-[(E)-3-(5-nitrocyclohexa-1,5-dien-1-yl)prop-2-enoyl]piperazine-1-carboxylate Openeye Name: isopropenyl 4-[(E)-3-(5-nitrocyclohexa-1,5-dien-1-yl)prop-2-enoyl]piperazine-1-carboxylate CAS Name: 4-[(E)-3-(5-nitro-1-cyclohexa-1,5-dienyl)-1-oxoprop-2-enyl]-1-piperazinecarboxylic acid 1-methylethenyl ester IUPAC Name: prop-1-en-2-yl 4-[(E)-3-(5-nitrocyclohexa-1,5-dien-1-yl)prop-2-enoyl]piperazine-1-carboxylate Traditional Name: 4-[(E)-3-(5-nitrocyclohexa-1,5-dien-1-yl)acryloyl]piperazine-1-carboxylic acid isopropenyl ester Formula: C17H21N3O5 MolecularWeight: 347.36574

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)OC(=O)N1CCN(CC1)C(=O)C=CC2=CCCC(=C2)[N+](=O)[O-]

Isomeric SMILES

CC(=C)OC(=O)N1CCN(CC1)C(=O)/C=C/C2=CCCC(=C2)[N+](=O)[O-]

InChI

InChI=1S/C17H21N3O5/c1-13(2)25-17(22)19-10-8-18(9-11-19)16(21)7-6-14-4-3-5-15(12-14)20(23)24/h4,6-7,12H,1,3,5,8-11H2,2H3/b7-6+