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

Systemtic Name: 3-methylbutyl 2-[1-[2-(4-nitrophenoxy)propanoyl]-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: isopentyl 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-methylbutyl ester IUPAC Name: 3-methylbutyl 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 isoamyl ester Formula: C20H27N3O7 MolecularWeight: 421.44428

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC(=O)CC1C(=O)NCCN1C(=O)C(C)OC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C)CCOC(=O)CC1C(=O)NCCN1C(=O)C(C)OC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C20H27N3O7/c1-13(2)8-11-29-18(24)12-17-19(25)21-9-10-22(17)20(26)14(3)30-16-6-4-15(5-7-16)23(27)28/h4-7,13-14,17H,8-12H2,1-3H3,(H,21,25)