(E)-3-(1-butyl-5-chloranyl-3-methyl-pyrazol-4-yl)-1-(4-nitrophenyl)prop-2-en-1-one

Systemtic Name: (E)-3-(1-butyl-5-chloranyl-3-methyl-pyrazol-4-yl)-1-(4-nitrophenyl)prop-2-en-1-one Openeye Name: (E)-3-(1-butyl-5-chloro-3-methyl-pyrazol-4-yl)-1-(4-nitrophenyl)prop-2-en-1-one CAS Name: (E)-3-(1-butyl-5-chloro-3-methyl-4-pyrazolyl)-1-(4-nitrophenyl)-2-propen-1-one IUPAC Name: (E)-3-(1-butyl-5-chloro-3-methylpyrazol-4-yl)-1-(4-nitrophenyl)prop-2-en-1-one Traditional Name: (E)-3-(1-butyl-5-chloro-3-methyl-pyrazol-4-yl)-1-(4-nitrophenyl)prop-2-en-1-one Formula: C17H18ClN3O3 MolecularWeight: 347.79612

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(=N1)C)C=CC(=O)C2=CC=C(C=C2)[N+](=O)[O-])Cl

Isomeric SMILES

CCCCN1C(=C(C(=N1)C)/C=C/C(=O)C2=CC=C(C=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C17H18ClN3O3/c1-3-4-11-20-17(18)15(12(2)19-20)9-10-16(22)13-5-7-14(8-6-13)21(23)24/h5-10H,3-4,11H2,1-2H3/b10-9+