methyl 2-[1-(2-chloranyl-5-nitro-phenyl)carbonyl-3-oxidanylidene-piperazin-2-yl]ethanoate

Systemtic Name: methyl 2-[1-(2-chloranyl-5-nitro-phenyl)carbonyl-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: methyl 2-[1-(2-chloro-5-nitro-benzoyl)-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[1-[(2-chloro-5-nitrophenyl)-oxomethyl]-3-oxo-2-piperazinyl]acetic acid methyl ester IUPAC Name: methyl 2-[1-(2-chloro-5-nitrobenzoyl)-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[1-(2-chloro-5-nitro-benzoyl)-3-keto-piperazin-2-yl]acetic acid methyl ester Formula: C14H14ClN3O6 MolecularWeight: 355.73046

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H14ClN3O6/c1-24-12(19)7-11-13(20)16-4-5-17(11)14(21)9-6-8(18(22)23)2-3-10(9)15/h2-3,6,11H,4-5,7H2,1H3,(H,16,20)