[3,5-bis(oxidanylidene)-4-(3-oxidanylidenebutyl)-1,2-diphenyl-pyrazolidin-4-yl]methyl 2-acetyloxybenzoate

Systemtic Name: [3,5-bis(oxidanylidene)-4-(3-oxidanylidenebutyl)-1,2-diphenyl-pyrazolidin-4-yl]methyl 2-acetyloxybenzoate Openeye Name: [3,5-dioxo-4-(3-oxobutyl)-1,2-diphenyl-pyrazolidin-4-yl]methyl 2-acetoxybenzoate CAS Name: 2-acetyloxybenzoic acid [3,5-dioxo-4-(3-oxobutyl)-1,2-diphenyl-4-pyrazolidinyl]methyl ester IUPAC Name: [3,5-dioxo-4-(3-oxobutyl)-1,2-diphenylpyrazolidin-4-yl]methyl 2-acetyloxybenzoate Traditional Name: 2-acetoxybenzoic acid [3,5-diketo-4-(3-ketobutyl)-1,2-diphenyl-pyrazolidin-4-yl]methyl ester Formula: C29H26N2O7 MolecularWeight: 514.52594

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCC1(C(=O)N(N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3)COC(=O)C4=CC=CC=C4OC(=O)C

Isomeric SMILES

CC(=O)CCC1(C(=O)N(N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3)COC(=O)C4=CC=CC=C4OC(=O)C

InChI

InChI=1S/C29H26N2O7/c1-20(32)17-18-29(19-37-26(34)24-15-9-10-16-25(24)38-21(2)33)27(35)30(22-11-5-3-6-12-22)31(28(29)36)23-13-7-4-8-14-23/h3-16H,17-19H2,1-2H3