2-[4-[2-[(3-nitrophenyl)amino]-2-oxidanylidene-ethyl]piperazin-2-yl]ethanoate

Systemtic Name: 2-[4-[2-[(3-nitrophenyl)amino]-2-oxidanylidene-ethyl]piperazin-2-yl]ethanoate Openeye Name: 2-[4-[2-(3-nitroanilino)-2-oxo-ethyl]piperazin-2-yl]acetate CAS Name: 2-[4-[2-(3-nitroanilino)-2-oxoethyl]-2-piperazinyl]acetate IUPAC Name: 2-[4-[2-(3-nitroanilino)-2-oxoethyl]piperazin-2-yl]acetate Traditional Name: 2-[4-[2-keto-2-(3-nitroanilino)ethyl]piperazin-2-yl]acetate Formula: C14H17N4O5- MolecularWeight: 321.30858

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(N1)CC(=O)[O-])CC(=O)NC2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC(N1)CC(=O)[O-])CC(=O)NC2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C14H18N4O5/c19-13(16-10-2-1-3-12(6-10)18(22)23)9-17-5-4-15-11(8-17)7-14(20)21/h1-3,6,11,15H,4-5,7-9H2,(H,16,19)(H,20,21)/p-1