N'-[6-[(2,3-dimethylphenyl)amino]-5-nitro-pyrimidin-4-yl]benzohydrazide

Systemtic Name: N'-[6-[(2,3-dimethylphenyl)amino]-5-nitro-pyrimidin-4-yl]benzohydrazide Openeye Name: N'-[6-(2,3-dimethylanilino)-5-nitro-pyrimidin-4-yl]benzohydrazide CAS Name: N'-[6-(2,3-dimethylanilino)-5-nitro-4-pyrimidinyl]benzohydrazide IUPAC Name: N'-[6-(2,3-dimethylanilino)-5-nitropyrimidin-4-yl]benzohydrazide Traditional Name: N'-[6-(2,3-dimethylanilino)-5-nitro-pyrimidin-4-yl]benzohydrazide Formula: C19H18N6O3 MolecularWeight: 378.38462

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18N6O3/c1-12-7-6-10-15(13(12)2)22-17-16(25(27)28)18(21-11-20-17)23-24-19(26)14-8-4-3-5-9-14/h3-11H,1-2H3,(H,24,26)(H2,20,21,22,23)