methyl 2-[methyl-(5-nitro-4-oxidanylidene-1H-pyrimidin-6-yl)amino]benzoate

Systemtic Name: methyl 2-[methyl-(5-nitro-4-oxidanylidene-1H-pyrimidin-6-yl)amino]benzoate Openeye Name: methyl 2-[methyl-(5-nitro-4-oxo-1H-pyrimidin-6-yl)amino]benzoate CAS Name: 2-[methyl-(5-nitro-4-oxo-1H-pyrimidin-6-yl)amino]benzoic acid methyl ester IUPAC Name: methyl 2-[methyl-(5-nitro-4-oxo-1H-pyrimidin-6-yl)amino]benzoate Traditional Name: 2-[(4-keto-5-nitro-1H-pyrimidin-6-yl)-methyl-amino]benzoic acid methyl ester Formula: C13H12N4O5 MolecularWeight: 304.25818

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=CC=C1C(=O)OC)C2=C(C(=O)N=CN2)[N+](=O)[O-]

Isomeric SMILES

CN(C1=CC=CC=C1C(=O)OC)C2=C(C(=O)N=CN2)[N+](=O)[O-]

InChI

InChI=1S/C13H12N4O5/c1-16(9-6-4-3-5-8(9)13(19)22-2)11-10(17(20)21)12(18)15-7-14-11/h3-7H,1-2H3,(H,14,15,18)