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

Systemtic Name: decyl 2-[1-[(E)-3-(3-nitrophenyl)prop-2-enoyl]-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: decyl 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 decyl ester IUPAC Name: decyl 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 decyl ester Formula: C25H35N3O6 MolecularWeight: 473.5619

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H35N3O6/c1-2-3-4-5-6-7-8-9-17-34-24(30)19-22-25(31)26-15-16-27(22)23(29)14-13-20-11-10-12-21(18-20)28(32)33/h10-14,18,22H,2-9,15-17,19H2,1H3,(H,26,31)/b14-13+