(4-pyrazol-1-ylphenyl)methyl 9,10-bis(oxidanylidene)anthracene-1-carboxylate

Systemtic Name: (4-pyrazol-1-ylphenyl)methyl 9,10-bis(oxidanylidene)anthracene-1-carboxylate Openeye Name: (4-pyrazol-1-ylphenyl)methyl 9,10-dioxoanthracene-1-carboxylate CAS Name: 9,10-dioxo-1-anthracenecarboxylic acid [4-(1-pyrazolyl)phenyl]methyl ester IUPAC Name: (4-pyrazol-1-ylphenyl)methyl 9,10-dioxoanthracene-1-carboxylate Traditional Name: 9,10-diketoanthracene-1-carboxylic acid (4-pyrazol-1-ylbenzyl) ester Formula: C25H16N2O4 MolecularWeight: 408.40554

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=CC=C3)C(=O)OCC4=CC=C(C=C4)N5C=CC=N5

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=CC=C3)C(=O)OCC4=CC=C(C=C4)N5C=CC=N5

InChI

InChI=1S/C25H16N2O4/c28-23-18-5-1-2-6-19(18)24(29)22-20(23)7-3-8-21(22)25(30)31-15-16-9-11-17(12-10-16)27-14-4-13-26-27/h1-14H,15H2