2-(1H-benzimidazol-2-yl)-5-methyl-4-[(4-nitrophenyl)methyl]-4H-pyrazol-3-one

Systemtic Name: 2-(1H-benzimidazol-2-yl)-5-methyl-4-[(4-nitrophenyl)methyl]-4H-pyrazol-3-one Openeye Name: 2-(1H-benzimidazol-2-yl)-5-methyl-4-[(4-nitrophenyl)methyl]-4H-pyrazol-3-one CAS Name: 2-(1H-benzimidazol-2-yl)-5-methyl-4-[(4-nitrophenyl)methyl]-4H-pyrazol-3-one IUPAC Name: 2-(1H-benzimidazol-2-yl)-5-methyl-4-[(4-nitrophenyl)methyl]-4H-pyrazol-3-one Traditional Name: 2-(1H-benzimidazol-2-yl)-5-methyl-4-(4-nitrobenzyl)-2-pyrazolin-3-one Formula: C18H15N5O3 MolecularWeight: 349.3434

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1CC2=CC=C(C=C2)[N+](=O)[O-])C3=NC4=CC=CC=C4N3

Isomeric SMILES

CC1=NN(C(=O)C1CC2=CC=C(C=C2)[N+](=O)[O-])C3=NC4=CC=CC=C4N3

InChI

InChI=1S/C18H15N5O3/c1-11-14(10-12-6-8-13(9-7-12)23(25)26)17(24)22(21-11)18-19-15-4-2-3-5-16(15)20-18/h2-9,14H,10H2,1H3,(H,19,20)