1-[5-(5-methoxy-2-nitro-phenyl)-3,4-dihydropyrazol-2-yl]butan-1-one

Systemtic Name: 1-[5-(5-methoxy-2-nitro-phenyl)-3,4-dihydropyrazol-2-yl]butan-1-one Openeye Name: 1-[5-(5-methoxy-2-nitro-phenyl)-3,4-dihydropyrazol-2-yl]butan-1-one CAS Name: 1-[5-(5-methoxy-2-nitrophenyl)-3,4-dihydropyrazol-2-yl]-1-butanone IUPAC Name: 1-[5-(5-methoxy-2-nitrophenyl)-3,4-dihydropyrazol-2-yl]butan-1-one Traditional Name: 1-[3-(5-methoxy-2-nitro-phenyl)-2-pyrazolin-1-yl]butan-1-one Formula: C14H17N3O4 MolecularWeight: 291.30248

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)N1CCC(=N1)C2=C(C=CC(=C2)OC)[N+](=O)[O-]

Isomeric SMILES

CCCC(=O)N1CCC(=N1)C2=C(C=CC(=C2)OC)[N+](=O)[O-]

InChI

InChI=1S/C14H17N3O4/c1-3-4-14(18)16-8-7-12(15-16)11-9-10(21-2)5-6-13(11)17(19)20/h5-6,9H,3-4,7-8H2,1-2H3