phenethyl 2-[1-[(Z)-2-acetamido-3-(3-nitrophenyl)prop-2-enoyl]-3-oxidanylidene-piperazin-2-yl]ethanoate

Systemtic Name: phenethyl 2-[1-[(Z)-2-acetamido-3-(3-nitrophenyl)prop-2-enoyl]-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: phenethyl 2-[1-[(Z)-2-acetamido-3-(3-nitrophenyl)prop-2-enoyl]-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[1-[(Z)-2-acetamido-3-(3-nitrophenyl)-1-oxoprop-2-enyl]-3-oxo-2-piperazinyl]acetic acid phenethyl ester IUPAC Name: phenethyl 2-[1-[(Z)-2-acetamido-3-(3-nitrophenyl)prop-2-enoyl]-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[1-[(Z)-2-acetamido-3-(3-nitrophenyl)acryloyl]-3-keto-piperazin-2-yl]acetic acid phenethyl ester Formula: C25H26N4O7 MolecularWeight: 494.49654

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(=CC1=CC(=CC=C1)[N+](=O)[O-])C(=O)N2CCNC(=O)C2CC(=O)OCCC3=CC=CC=C3

Isomeric SMILES

CC(=O)N/C(=C\C1=CC(=CC=C1)[N+](=O)[O-])/C(=O)N2CCNC(=O)C2CC(=O)OCCC3=CC=CC=C3

InChI

InChI=1S/C25H26N4O7/c1-17(30)27-21(15-19-8-5-9-20(14-19)29(34)35)25(33)28-12-11-26-24(32)22(28)16-23(31)36-13-10-18-6-3-2-4-7-18/h2-9,14-15,22H,10-13,16H2,1H3,(H,26,32)(H,27,30)/b21-15-