(phenylmethyl) 4-(1-azanyl-1-azanylidene-3-oxidanylidene-propan-2-yl)piperazine-1-carboxylate

Systemtic Name: (phenylmethyl) 4-(1-azanyl-1-azanylidene-3-oxidanylidene-propan-2-yl)piperazine-1-carboxylate Openeye Name: benzyl 4-(2-amino-1-formyl-2-imino-ethyl)piperazine-1-carboxylate CAS Name: 4-(1-amino-1-imino-3-oxopropan-2-yl)-1-piperazinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-(1-amino-1-imino-3-oxopropan-2-yl)piperazine-1-carboxylate Traditional Name: 4-(2-amino-1-formyl-2-imino-ethyl)piperazine-1-carboxylic acid benzyl ester Formula: C15H20N4O3 MolecularWeight: 304.3443

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(C=O)C(=N)N)C(=O)OCC2=CC=CC=C2

Isomeric SMILES

C1CN(CCN1C(C=O)C(=N)N)C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C15H20N4O3/c16-14(17)13(10-20)18-6-8-19(9-7-18)15(21)22-11-12-4-2-1-3-5-12/h1-5,10,13H,6-9,11H2,(H3,16,17)