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

Systemtic Name: 4-chloranyl-N'-[6-[(2-methylquinolin-5-yl)amino]-5-nitro-pyrimidin-4-yl]benzohydrazide Openeye Name: 4-chloro-N'-[6-[(2-methyl-5-quinolyl)amino]-5-nitro-pyrimidin-4-yl]benzohydrazide CAS Name: 4-chloro-N'-[6-[(2-methyl-5-quinolinyl)amino]-5-nitro-4-pyrimidinyl]benzohydrazide IUPAC Name: 4-chloro-N'-[6-[(2-methylquinolin-5-yl)amino]-5-nitropyrimidin-4-yl]benzohydrazide Traditional Name: 4-chloro-N'-[6-[(2-methyl-5-quinolyl)amino]-5-nitro-pyrimidin-4-yl]benzohydrazide Formula: C21H16ClN7O3 MolecularWeight: 449.84984

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=C1)C(=CC=C2)NC3=C(C(=NC=N3)NNC(=O)C4=CC=C(C=C4)Cl)[N+](=O)[O-]

Isomeric SMILES

CC1=NC2=C(C=C1)C(=CC=C2)NC3=C(C(=NC=N3)NNC(=O)C4=CC=C(C=C4)Cl)[N+](=O)[O-]

InChI

InChI=1S/C21H16ClN7O3/c1-12-5-10-15-16(25-12)3-2-4-17(15)26-19-18(29(31)32)20(24-11-23-19)27-28-21(30)13-6-8-14(22)9-7-13/h2-11H,1H3,(H,28,30)(H2,23,24,26,27)