2-chloranyl-N'-[6-[(2,4-dimethylphenyl)amino]-5-nitro-pyrimidin-4-yl]benzohydrazide

Systemtic Name: 2-chloranyl-N'-[6-[(2,4-dimethylphenyl)amino]-5-nitro-pyrimidin-4-yl]benzohydrazide Openeye Name: 2-chloro-N'-[6-(2,4-dimethylanilino)-5-nitro-pyrimidin-4-yl]benzohydrazide CAS Name: 2-chloro-N'-[6-(2,4-dimethylanilino)-5-nitro-4-pyrimidinyl]benzohydrazide IUPAC Name: 2-chloro-N'-[6-(2,4-dimethylanilino)-5-nitropyrimidin-4-yl]benzohydrazide Traditional Name: 2-chloro-N'-[6-(2,4-dimethylanilino)-5-nitro-pyrimidin-4-yl]benzohydrazide Formula: C19H17ClN6O3 MolecularWeight: 412.82968

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC2=C(C(=NC=N2)NNC(=O)C3=CC=CC=C3Cl)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=C(C=C1)NC2=C(C(=NC=N2)NNC(=O)C3=CC=CC=C3Cl)[N+](=O)[O-])C

InChI

InChI=1S/C19H17ClN6O3/c1-11-7-8-15(12(2)9-11)23-17-16(26(28)29)18(22-10-21-17)24-25-19(27)13-5-3-4-6-14(13)20/h3-10H,1-2H3,(H,25,27)(H2,21,22,23,24)