dodecyl 2-[1-[(E)-3-(3-nitrophenyl)prop-2-enoyl]-3-oxidanylidene-piperazin-2-yl]ethanoate

Systemtic Name: dodecyl 2-[1-[(E)-3-(3-nitrophenyl)prop-2-enoyl]-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: dodecyl 2-[1-[(E)-3-(3-nitrophenyl)prop-2-enoyl]-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[1-[(E)-3-(3-nitrophenyl)-1-oxoprop-2-enyl]-3-oxo-2-piperazinyl]acetic acid dodecyl ester IUPAC Name: dodecyl 2-[1-[(E)-3-(3-nitrophenyl)prop-2-enoyl]-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[3-keto-1-[(E)-3-(3-nitrophenyl)acryloyl]piperazin-2-yl]acetic acid lauryl ester Formula: C27H39N3O6 MolecularWeight: 501.61506

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC(=O)CC1C(=O)NCCN1C(=O)C=CC2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCOC(=O)CC1C(=O)NCCN1C(=O)/C=C/C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C27H39N3O6/c1-2-3-4-5-6-7-8-9-10-11-19-36-26(32)21-24-27(33)28-17-18-29(24)25(31)16-15-22-13-12-14-23(20-22)30(34)35/h12-16,20,24H,2-11,17-19,21H2,1H3,(H,28,33)/b16-15+