methyl 2-[[(3-nitrophenyl)carbonylamino]methyl-nitroso-amino]ethanoate

Systemtic Name: methyl 2-[[(3-nitrophenyl)carbonylamino]methyl-nitroso-amino]ethanoate Openeye Name: methyl 2-[[(3-nitrobenzoyl)amino]methyl-nitroso-amino]acetate CAS Name: 2-[[[(3-nitrophenyl)-oxomethyl]amino]methyl-nitrosoamino]acetic acid methyl ester IUPAC Name: methyl 2-[[(3-nitrobenzoyl)amino]methyl-nitrosoamino]acetate Traditional Name: 2-[[(3-nitrobenzoyl)amino]methyl-nitroso-amino]acetic acid methyl ester Formula: C11H12N4O6 MolecularWeight: 296.23618

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CN(CNC(=O)C1=CC(=CC=C1)[N+](=O)[O-])N=O

Isomeric SMILES

COC(=O)CN(CNC(=O)C1=CC(=CC=C1)[N+](=O)[O-])N=O

InChI

InChI=1S/C11H12N4O6/c1-21-10(16)6-14(13-18)7-12-11(17)8-3-2-4-9(5-8)15(19)20/h2-5H,6-7H2,1H3,(H,12,17)