(phenylmethyl) 2-[(ethoxycarbonylamino)-nitroso-amino]ethanoate

Systemtic Name: (phenylmethyl) 2-[(ethoxycarbonylamino)-nitroso-amino]ethanoate Openeye Name: benzyl 2-[(ethoxycarbonylamino)-nitroso-amino]acetate CAS Name: 2-[(ethoxycarbonylamino)-nitrosoamino]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[(ethoxycarbonylamino)-nitrosoamino]acetate Traditional Name: 2-[(carbethoxyamino)-nitroso-amino]acetic acid benzyl ester Formula: C12H15N3O5 MolecularWeight: 281.2646

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)NN(CC(=O)OCC1=CC=CC=C1)N=O

Isomeric SMILES

CCOC(=O)NN(CC(=O)OCC1=CC=CC=C1)N=O

InChI

InChI=1S/C12H15N3O5/c1-2-19-12(17)13-15(14-18)8-11(16)20-9-10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3,(H,13,17)