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

Systemtic Name: 3-methylbutyl 2-[1-[2-(2-nitrophenoxy)ethanoyl]-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: isopentyl 2-[1-[2-(2-nitrophenoxy)acetyl]-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[1-[2-(2-nitrophenoxy)-1-oxoethyl]-3-oxo-2-piperazinyl]acetic acid 3-methylbutyl ester IUPAC Name: 3-methylbutyl 2-[1-[2-(2-nitrophenoxy)acetyl]-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[3-keto-1-[2-(2-nitrophenoxy)acetyl]piperazin-2-yl]acetic acid isoamyl ester Formula: C19H25N3O7 MolecularWeight: 407.4177

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC(=O)CC1C(=O)NCCN1C(=O)COC2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

CC(C)CCOC(=O)CC1C(=O)NCCN1C(=O)COC2=CC=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C19H25N3O7/c1-13(2)7-10-28-18(24)11-15-19(25)20-8-9-21(15)17(23)12-29-16-6-4-3-5-14(16)22(26)27/h3-6,13,15H,7-12H2,1-2H3,(H,20,25)