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

Systemtic Name: prop-2-enyl 6-methyl-4-(3-nitrophenyl)-6-oxidanyl-3-oxidanylidene-2,4,5,7-tetrahydro-1H-indazole-5-carboxylate Openeye Name: allyl 6-hydroxy-6-methyl-4-(3-nitrophenyl)-3-oxo-2,4,5,7-tetrahydro-1H-indazole-5-carboxylate CAS Name: 6-hydroxy-6-methyl-4-(3-nitrophenyl)-3-oxo-2,4,5,7-tetrahydro-1H-indazole-5-carboxylic acid prop-2-enyl ester IUPAC Name: prop-2-enyl 6-hydroxy-6-methyl-4-(3-nitrophenyl)-3-oxo-2,4,5,7-tetrahydro-1H-indazole-5-carboxylate Traditional Name: 6-hydroxy-3-keto-6-methyl-4-(3-nitrophenyl)-2,4,5,7-tetrahydro-1H-indazole-5-carboxylic acid allyl ester Formula: C18H19N3O6 MolecularWeight: 373.35996

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C(C1C(=O)OCC=C)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)NN2)O

Isomeric SMILES

CC1(CC2=C(C(C1C(=O)OCC=C)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)NN2)O

InChI

InChI=1S/C18H19N3O6/c1-3-7-27-17(23)15-13(10-5-4-6-11(8-10)21(25)26)14-12(9-18(15,2)24)19-20-16(14)22/h3-6,8,13,15,24H,1,7,9H2,2H3,(H2,19,20,22)