(Z)-3-(1-butyl-5-chloranyl-3-methyl-pyrazol-4-yl)-2-(4-nitrophenyl)prop-2-enenitrile

Systemtic Name: (Z)-3-(1-butyl-5-chloranyl-3-methyl-pyrazol-4-yl)-2-(4-nitrophenyl)prop-2-enenitrile Openeye Name: (Z)-3-(1-butyl-5-chloro-3-methyl-pyrazol-4-yl)-2-(4-nitrophenyl)prop-2-enenitrile CAS Name: (Z)-3-(1-butyl-5-chloro-3-methyl-4-pyrazolyl)-2-(4-nitrophenyl)-2-propenenitrile IUPAC Name: (Z)-3-(1-butyl-5-chloro-3-methylpyrazol-4-yl)-2-(4-nitrophenyl)prop-2-enenitrile Traditional Name: (Z)-3-(1-butyl-5-chloro-3-methyl-pyrazol-4-yl)-2-(4-nitrophenyl)acrylonitrile Formula: C17H17ClN4O2 MolecularWeight: 344.79548

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17ClN4O2/c1-3-4-9-21-17(18)16(12(2)20-21)10-14(11-19)13-5-7-15(8-6-13)22(23)24/h5-8,10H,3-4,9H2,1-2H3/b14-10+