2-[[5-chloranyl-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]methylidene]indene-1,3-dione

Systemtic Name: 2-[[5-chloranyl-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]methylidene]indene-1,3-dione Openeye Name: 2-[(5-chloro-1-isobutyl-3-methyl-pyrazol-4-yl)methylene]indane-1,3-dione CAS Name: 2-[[5-chloro-3-methyl-1-(2-methylpropyl)-4-pyrazolyl]methylidene]indene-1,3-dione IUPAC Name: 2-[[5-chloro-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]methylidene]indene-1,3-dione Traditional Name: 2-[(5-chloro-1-isobutyl-3-methyl-pyrazol-4-yl)methylene]indane-1,3-quinone Formula: C18H17ClN2O2 MolecularWeight: 328.79278

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C=C2C(=O)C3=CC=CC=C3C2=O)Cl)CC(C)C

Isomeric SMILES

CC1=NN(C(=C1C=C2C(=O)C3=CC=CC=C3C2=O)Cl)CC(C)C

InChI

InChI=1S/C18H17ClN2O2/c1-10(2)9-21-18(19)14(11(3)20-21)8-15-16(22)12-6-4-5-7-13(12)17(15)23/h4-8,10H,9H2,1-3H3