3-phenylpropyl 2-[1-[2-(4-nitrophenoxy)propanoyl]-3-oxidanylidene-piperazin-2-yl]ethanoate

Systemtic Name: 3-phenylpropyl 2-[1-[2-(4-nitrophenoxy)propanoyl]-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: 3-phenylpropyl 2-[1-[2-(4-nitrophenoxy)propanoyl]-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[1-[2-(4-nitrophenoxy)-1-oxopropyl]-3-oxo-2-piperazinyl]acetic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 2-[1-[2-(4-nitrophenoxy)propanoyl]-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[3-keto-1-[2-(4-nitrophenoxy)propanoyl]piperazin-2-yl]acetic acid 3-phenylpropyl ester Formula: C24H27N3O7 MolecularWeight: 469.48708

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCNC(=O)C1CC(=O)OCCCC2=CC=CC=C2)OC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)N1CCNC(=O)C1CC(=O)OCCCC2=CC=CC=C2)OC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C24H27N3O7/c1-17(34-20-11-9-19(10-12-20)27(31)32)24(30)26-14-13-25-23(29)21(26)16-22(28)33-15-5-8-18-6-3-2-4-7-18/h2-4,6-7,9-12,17,21H,5,8,13-16H2,1H3,(H,25,29)