N'-[6-[(2-methylphenyl)amino]-5-nitro-pyrimidin-4-yl]pyridine-3-carbohydrazide

Systemtic Name: N'-[6-[(2-methylphenyl)amino]-5-nitro-pyrimidin-4-yl]pyridine-3-carbohydrazide Openeye Name: N'-[6-(2-methylanilino)-5-nitro-pyrimidin-4-yl]pyridine-3-carbohydrazide CAS Name: N'-[6-(2-methylanilino)-5-nitro-4-pyrimidinyl]-3-pyridinecarbohydrazide IUPAC Name: N'-[6-(2-methylanilino)-5-nitropyrimidin-4-yl]pyridine-3-carbohydrazide Traditional Name: N'-[5-nitro-6-(o-toluidino)pyrimidin-4-yl]nicotinohydrazide Formula: C17H15N7O3 MolecularWeight: 365.3461

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC2=C(C(=NC=N2)NNC(=O)C3=CN=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1NC2=C(C(=NC=N2)NNC(=O)C3=CN=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H15N7O3/c1-11-5-2-3-7-13(11)21-15-14(24(26)27)16(20-10-19-15)22-23-17(25)12-6-4-8-18-9-12/h2-10H,1H3,(H,23,25)(H2,19,20,21,22)