(4-pyrazol-1-ylphenyl)methyl 1-chloranyl-9,10-bis(oxidanylidene)anthracene-2-carboxylate

Systemtic Name: (4-pyrazol-1-ylphenyl)methyl 1-chloranyl-9,10-bis(oxidanylidene)anthracene-2-carboxylate Openeye Name: (4-pyrazol-1-ylphenyl)methyl 1-chloro-9,10-dioxo-anthracene-2-carboxylate CAS Name: 1-chloro-9,10-dioxo-2-anthracenecarboxylic acid [4-(1-pyrazolyl)phenyl]methyl ester IUPAC Name: (4-pyrazol-1-ylphenyl)methyl 1-chloro-9,10-dioxoanthracene-2-carboxylate Traditional Name: 1-chloro-9,10-diketo-anthracene-2-carboxylic acid (4-pyrazol-1-ylbenzyl) ester Formula: C25H15ClN2O4 MolecularWeight: 442.8506

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H15ClN2O4/c26-22-20(11-10-19-21(22)24(30)18-5-2-1-4-17(18)23(19)29)25(31)32-14-15-6-8-16(9-7-15)28-13-3-12-27-28/h1-13H,14H2