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

Systemtic Name: butyl 2-[1-[(E)-3-(3-nitrophenyl)prop-2-enoyl]-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: butyl 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 butyl ester IUPAC Name: butyl 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 butyl ester Formula: C19H23N3O6 MolecularWeight: 389.40242

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23N3O6/c1-2-3-11-28-18(24)13-16-19(25)20-9-10-21(16)17(23)8-7-14-5-4-6-15(12-14)22(26)27/h4-8,12,16H,2-3,9-11,13H2,1H3,(H,20,25)/b8-7+