3-phenylpropyl 5-[2-(3-nitrophenyl)carbonylhydrazinyl]-5-oxidanylidene-pentanoate

Systemtic Name: 3-phenylpropyl 5-[2-(3-nitrophenyl)carbonylhydrazinyl]-5-oxidanylidene-pentanoate Openeye Name: 3-phenylpropyl 5-[2-(3-nitrobenzoyl)hydrazino]-5-oxo-pentanoate CAS Name: 5-[[(3-nitrophenyl)-oxomethyl]hydrazo]-5-oxopentanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 5-[2-(3-nitrobenzoyl)hydrazinyl]-5-oxopentanoate Traditional Name: 5-keto-5-[N'-(3-nitrobenzoyl)hydrazino]valeric acid 3-phenylpropyl ester Formula: C21H23N3O6 MolecularWeight: 413.42382

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCOC(=O)CCCC(=O)NNC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CCCOC(=O)CCCC(=O)NNC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C21H23N3O6/c25-19(22-23-21(27)17-10-4-11-18(15-17)24(28)29)12-5-13-20(26)30-14-6-9-16-7-2-1-3-8-16/h1-4,7-8,10-11,15H,5-6,9,12-14H2,(H,22,25)(H,23,27)