3-methylbutyl 2-[1-(3-nitrophenyl)carbonyl-3-oxidanylidene-piperazin-2-yl]ethanoate

Systemtic Name: 3-methylbutyl 2-[1-(3-nitrophenyl)carbonyl-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: isopentyl 2-[1-(3-nitrobenzoyl)-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[1-[(3-nitrophenyl)-oxomethyl]-3-oxo-2-piperazinyl]acetic acid 3-methylbutyl ester IUPAC Name: 3-methylbutyl 2-[1-(3-nitrobenzoyl)-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[3-keto-1-(3-nitrobenzoyl)piperazin-2-yl]acetic acid isoamyl ester Formula: C18H23N3O6 MolecularWeight: 377.39172

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23N3O6/c1-12(2)6-9-27-16(22)11-15-17(23)19-7-8-20(15)18(24)13-4-3-5-14(10-13)21(25)26/h3-5,10,12,15H,6-9,11H2,1-2H3,(H,19,23)