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

Systemtic Name: methyl 2-[1-(4-nitrophenyl)carbonyl-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: methyl 2-[1-(4-nitrobenzoyl)-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[1-[(4-nitrophenyl)-oxomethyl]-3-oxo-2-piperazinyl]acetic acid methyl ester IUPAC Name: methyl 2-[1-(4-nitrobenzoyl)-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[3-keto-1-(4-nitrobenzoyl)piperazin-2-yl]acetic acid methyl ester Formula: C14H15N3O6 MolecularWeight: 321.2854

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H15N3O6/c1-23-12(18)8-11-13(19)15-6-7-16(11)14(20)9-2-4-10(5-3-9)17(21)22/h2-5,11H,6-8H2,1H3,(H,15,19)