[1-[[9,10-bis(oxidanylidene)anthracen-1-yl]amino]-1-oxidanylidene-propan-2-yl] 1-methylpyrazole-4-carboxylate

Systemtic Name: [1-[[9,10-bis(oxidanylidene)anthracen-1-yl]amino]-1-oxidanylidene-propan-2-yl] 1-methylpyrazole-4-carboxylate Openeye Name: [2-[(9,10-dioxo-1-anthryl)amino]-1-methyl-2-oxo-ethyl] 1-methylpyrazole-4-carboxylate CAS Name: 1-methyl-4-pyrazolecarboxylic acid [1-[(9,10-dioxo-1-anthracenyl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[(9,10-dioxoanthracen-1-yl)amino]-1-oxopropan-2-yl] 1-methylpyrazole-4-carboxylate Traditional Name: 1-methylpyrazole-4-carboxylic acid [2-[(9,10-diketo-1-anthryl)amino]-2-keto-1-methyl-ethyl] ester Formula: C22H17N3O5 MolecularWeight: 403.38748

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC2=C1C(=O)C3=CC=CC=C3C2=O)OC(=O)C4=CN(N=C4)C

Isomeric SMILES

CC(C(=O)NC1=CC=CC2=C1C(=O)C3=CC=CC=C3C2=O)OC(=O)C4=CN(N=C4)C

InChI

InChI=1S/C22H17N3O5/c1-12(30-22(29)13-10-23-25(2)11-13)21(28)24-17-9-5-8-16-18(17)20(27)15-7-4-3-6-14(15)19(16)26/h3-12H,1-2H3,(H,24,28)