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

Systemtic Name: 2-(1,3-benzoxazol-2-yl)-5-methyl-4-[(4-nitrophenyl)methyl]-1H-pyrazol-3-one Openeye Name: 2-(1,3-benzoxazol-2-yl)-5-methyl-4-[(4-nitrophenyl)methyl]-1H-pyrazol-3-one CAS Name: 2-(1,3-benzoxazol-2-yl)-5-methyl-4-[(4-nitrophenyl)methyl]-1H-pyrazol-3-one IUPAC Name: 2-(1,3-benzoxazol-2-yl)-5-methyl-4-[(4-nitrophenyl)methyl]-1H-pyrazol-3-one Traditional Name: 2-(1,3-benzoxazol-2-yl)-5-methyl-4-(4-nitrobenzyl)-3-pyrazolin-3-one Formula: C18H14N4O4 MolecularWeight: 350.32816

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1)C2=NC3=CC=CC=C3O2)CC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=O)N(N1)C2=NC3=CC=CC=C3O2)CC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C18H14N4O4/c1-11-14(10-12-6-8-13(9-7-12)22(24)25)17(23)21(20-11)18-19-15-4-2-3-5-16(15)26-18/h2-9,20H,10H2,1H3