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

Systemtic Name: 3-phenylpropyl 2-[1-[(Z)-2-acetamido-3-(3-nitrophenyl)prop-2-enoyl]-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: 3-phenylpropyl 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 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 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 3-phenylpropyl ester Formula: C26H28N4O7 MolecularWeight: 508.52312

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(=CC1=CC(=CC=C1)[N+](=O)[O-])C(=O)N2CCNC(=O)C2CC(=O)OCCCC3=CC=CC=C3

Isomeric SMILES

CC(=O)N/C(=C\C1=CC(=CC=C1)[N+](=O)[O-])/C(=O)N2CCNC(=O)C2CC(=O)OCCCC3=CC=CC=C3

InChI

InChI=1S/C26H28N4O7/c1-18(31)28-22(16-20-9-5-11-21(15-20)30(35)36)26(34)29-13-12-27-25(33)23(29)17-24(32)37-14-6-10-19-7-3-2-4-8-19/h2-5,7-9,11,15-16,23H,6,10,12-14,17H2,1H3,(H,27,33)(H,28,31)/b22-16-