methyl 4-[[6-[2-(2-methylphenyl)carbonylhydrazinyl]-5-nitro-pyrimidin-4-yl]amino]benzoate

Systemtic Name: methyl 4-[[6-[2-(2-methylphenyl)carbonylhydrazinyl]-5-nitro-pyrimidin-4-yl]amino]benzoate Openeye Name: methyl 4-[[6-[2-(2-methylbenzoyl)hydrazino]-5-nitro-pyrimidin-4-yl]amino]benzoate CAS Name: 4-[[6-[[(2-methylphenyl)-oxomethyl]hydrazo]-5-nitro-4-pyrimidinyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[6-[2-(2-methylbenzoyl)hydrazinyl]-5-nitropyrimidin-4-yl]amino]benzoate Traditional Name: 4-[[5-nitro-6-(N'-o-toluoylhydrazino)pyrimidin-4-yl]amino]benzoic acid methyl ester Formula: C20H18N6O5 MolecularWeight: 422.39412

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)NNC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CC1=CC=CC=C1C(=O)NNC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C20H18N6O5/c1-12-5-3-4-6-15(12)19(27)25-24-18-16(26(29)30)17(21-11-22-18)23-14-9-7-13(8-10-14)20(28)31-2/h3-11H,1-2H3,(H,25,27)(H2,21,22,23,24)