[1-[(2-azanyl-2-oxidanylidene-ethyl)-nitroso-amino]piperazin-2-yl] ethanoate

Systemtic Name: [1-[(2-azanyl-2-oxidanylidene-ethyl)-nitroso-amino]piperazin-2-yl] ethanoate Openeye Name: [1-[(2-amino-2-oxo-ethyl)-nitroso-amino]piperazin-2-yl] acetate CAS Name: acetic acid [1-[(2-amino-2-oxoethyl)-nitrosoamino]-2-piperazinyl] ester IUPAC Name: [1-[(2-amino-2-oxoethyl)-nitrosoamino]piperazin-2-yl] acetate Traditional Name: acetic acid [1-[(2-amino-2-keto-ethyl)-nitroso-amino]piperazin-2-yl] ester Formula: C8H15N5O4 MolecularWeight: 245.2358

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1CNCCN1N(CC(=O)N)N=O

Isomeric SMILES

CC(=O)OC1CNCCN1N(CC(=O)N)N=O

InChI

InChI=1S/C8H15N5O4/c1-6(14)17-8-4-10-2-3-12(8)13(11-16)5-7(9)15/h8,10H,2-5H2,1H3,(H2,9,15)