(E)-3-(1-butyl-5-chloranyl-3-methyl-pyrazol-4-yl)-N-(2-methyl-3-nitro-phenyl)prop-2-enamide

Systemtic Name: (E)-3-(1-butyl-5-chloranyl-3-methyl-pyrazol-4-yl)-N-(2-methyl-3-nitro-phenyl)prop-2-enamide Openeye Name: (E)-3-(1-butyl-5-chloro-3-methyl-pyrazol-4-yl)-N-(2-methyl-3-nitro-phenyl)prop-2-enamide CAS Name: (E)-3-(1-butyl-5-chloro-3-methyl-4-pyrazolyl)-N-(2-methyl-3-nitrophenyl)-2-propenamide IUPAC Name: (E)-3-(1-butyl-5-chloro-3-methylpyrazol-4-yl)-N-(2-methyl-3-nitrophenyl)prop-2-enamide Traditional Name: (E)-3-(1-butyl-5-chloro-3-methyl-pyrazol-4-yl)-N-(2-methyl-3-nitro-phenyl)acrylamide Formula: C18H21ClN4O3 MolecularWeight: 376.83734

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(=N1)C)C=CC(=O)NC2=C(C(=CC=C2)[N+](=O)[O-])C)Cl

Isomeric SMILES

CCCCN1C(=C(C(=N1)C)/C=C/C(=O)NC2=C(C(=CC=C2)[N+](=O)[O-])C)Cl

InChI

InChI=1S/C18H21ClN4O3/c1-4-5-11-22-18(19)14(13(3)21-22)9-10-17(24)20-15-7-6-8-16(12(15)2)23(25)26/h6-10H,4-5,11H2,1-3H3,(H,20,24)/b10-9+