(E)-3-[4-methoxy-3-[(4-nitropyrazol-1-yl)methyl]phenyl]-1-(4-methylphenyl)prop-2-en-1-one

Systemtic Name: (E)-3-[4-methoxy-3-[(4-nitropyrazol-1-yl)methyl]phenyl]-1-(4-methylphenyl)prop-2-en-1-one Openeye Name: (E)-3-[4-methoxy-3-[(4-nitropyrazol-1-yl)methyl]phenyl]-1-(p-tolyl)prop-2-en-1-one CAS Name: (E)-3-[4-methoxy-3-[(4-nitro-1-pyrazolyl)methyl]phenyl]-1-(4-methylphenyl)-2-propen-1-one IUPAC Name: (E)-3-[4-methoxy-3-[(4-nitropyrazol-1-yl)methyl]phenyl]-1-(4-methylphenyl)prop-2-en-1-one Traditional Name: (E)-3-[4-methoxy-3-[(4-nitropyrazol-1-yl)methyl]phenyl]-1-(p-tolyl)prop-2-en-1-one Formula: C21H19N3O4 MolecularWeight: 377.39326

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C=CC2=CC(=C(C=C2)OC)CN3C=C(C=N3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)/C=C/C2=CC(=C(C=C2)OC)CN3C=C(C=N3)[N+](=O)[O-]

InChI

InChI=1S/C21H19N3O4/c1-15-3-7-17(8-4-15)20(25)9-5-16-6-10-21(28-2)18(11-16)13-23-14-19(12-22-23)24(26)27/h3-12,14H,13H2,1-2H3/b9-5+