methyl 4-[2-(3-oxidanylidenepiperazin-2-yl)ethanoylamino]benzoate

Systemtic Name: methyl 4-[2-(3-oxidanylidenepiperazin-2-yl)ethanoylamino]benzoate Openeye Name: methyl 4-[[2-(3-oxopiperazin-2-yl)acetyl]amino]benzoate CAS Name: 4-[[1-oxo-2-(3-oxo-2-piperazinyl)ethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-(3-oxopiperazin-2-yl)acetyl]amino]benzoate Traditional Name: 4-[[2-(3-ketopiperazin-2-yl)acetyl]amino]benzoic acid methyl ester Formula: C14H17N3O4 MolecularWeight: 291.30248

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=O)CC2C(=O)NCCN2

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=O)CC2C(=O)NCCN2

InChI

InChI=1S/C14H17N3O4/c1-21-14(20)9-2-4-10(5-3-9)17-12(18)8-11-13(19)16-7-6-15-11/h2-5,11,15H,6-8H2,1H3,(H,16,19)(H,17,18)