methyl 2-[1-(3-methyl-4-nitro-phenyl)carbonyl-3-oxidanylidene-piperazin-2-yl]ethanoate

Systemtic Name: methyl 2-[1-(3-methyl-4-nitro-phenyl)carbonyl-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: methyl 2-[1-(3-methyl-4-nitro-benzoyl)-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[1-[(3-methyl-4-nitrophenyl)-oxomethyl]-3-oxo-2-piperazinyl]acetic acid methyl ester IUPAC Name: methyl 2-[1-(3-methyl-4-nitrobenzoyl)-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[3-keto-1-(3-methyl-4-nitro-benzoyl)piperazin-2-yl]acetic acid methyl ester Formula: C15H17N3O6 MolecularWeight: 335.31198

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)N2CCNC(=O)C2CC(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)N2CCNC(=O)C2CC(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C15H17N3O6/c1-9-7-10(3-4-11(9)18(22)23)15(21)17-6-5-16-14(20)12(17)8-13(19)24-2/h3-4,7,12H,5-6,8H2,1-2H3,(H,16,20)