(E)-1-cyclopropyl-3-[3-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-4-methoxy-phenyl]prop-2-en-1-one

Systemtic Name: (E)-1-cyclopropyl-3-[3-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-4-methoxy-phenyl]prop-2-en-1-one Openeye Name: (E)-1-cyclopropyl-3-[3-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-4-methoxy-phenyl]prop-2-en-1-one CAS Name: (E)-1-cyclopropyl-3-[3-[(3,5-dimethyl-4-nitro-1-pyrazolyl)methyl]-4-methoxyphenyl]-2-propen-1-one IUPAC Name: (E)-1-cyclopropyl-3-[3-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-4-methoxyphenyl]prop-2-en-1-one Traditional Name: (E)-1-cyclopropyl-3-[3-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-4-methoxy-phenyl]prop-2-en-1-one Formula: C19H21N3O4 MolecularWeight: 355.38774

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=C(C=CC(=C2)C=CC(=O)C3CC3)OC)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC2=C(C=CC(=C2)/C=C/C(=O)C3CC3)OC)C)[N+](=O)[O-]

InChI

InChI=1S/C19H21N3O4/c1-12-19(22(24)25)13(2)21(20-12)11-16-10-14(5-9-18(16)26-3)4-8-17(23)15-6-7-15/h4-5,8-10,15H,6-7,11H2,1-3H3/b8-4+