prop-2-enyl 4-(4-bromophenyl)-6-methyl-6-oxidanyl-3-oxidanylidene-2,4,5,7-tetrahydro-1H-indazole-5-carboxylate

Systemtic Name: prop-2-enyl 4-(4-bromophenyl)-6-methyl-6-oxidanyl-3-oxidanylidene-2,4,5,7-tetrahydro-1H-indazole-5-carboxylate Openeye Name: allyl 4-(4-bromophenyl)-6-hydroxy-6-methyl-3-oxo-2,4,5,7-tetrahydro-1H-indazole-5-carboxylate CAS Name: 4-(4-bromophenyl)-6-hydroxy-6-methyl-3-oxo-2,4,5,7-tetrahydro-1H-indazole-5-carboxylic acid prop-2-enyl ester IUPAC Name: prop-2-enyl 4-(4-bromophenyl)-6-hydroxy-6-methyl-3-oxo-2,4,5,7-tetrahydro-1H-indazole-5-carboxylate Traditional Name: 4-(4-bromophenyl)-6-hydroxy-3-keto-6-methyl-2,4,5,7-tetrahydro-1H-indazole-5-carboxylic acid allyl ester Formula: C18H19BrN2O4 MolecularWeight: 407.25846

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C(C1C(=O)OCC=C)C3=CC=C(C=C3)Br)C(=O)NN2)O

Isomeric SMILES

CC1(CC2=C(C(C1C(=O)OCC=C)C3=CC=C(C=C3)Br)C(=O)NN2)O

InChI

InChI=1S/C18H19BrN2O4/c1-3-8-25-17(23)15-13(10-4-6-11(19)7-5-10)14-12(9-18(15,2)24)20-21-16(14)22/h3-7,13,15,24H,1,8-9H2,2H3,(H2,20,21,22)