ethyl 1-(2-methoxy-2-oxidanylidene-ethyl)-3-[(triphenylmethyl)amino]pyrazole-4-carboxylate

Systemtic Name: ethyl 1-(2-methoxy-2-oxidanylidene-ethyl)-3-[(triphenylmethyl)amino]pyrazole-4-carboxylate Openeye Name: ethyl 1-(2-methoxy-2-oxo-ethyl)-3-(tritylamino)pyrazole-4-carboxylate CAS Name: 1-(2-methoxy-2-oxoethyl)-3-[(triphenylmethyl)amino]-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(2-methoxy-2-oxoethyl)-3-(tritylamino)pyrazole-4-carboxylate Traditional Name: 1-(2-keto-2-methoxy-ethyl)-3-(tritylamino)pyrazole-4-carboxylic acid ethyl ester Formula: C28H27N3O4 MolecularWeight: 469.53168

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN(N=C1NC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)CC(=O)OC

Isomeric SMILES

CCOC(=O)C1=CN(N=C1NC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)CC(=O)OC

InChI

InChI=1S/C28H27N3O4/c1-3-35-27(33)24-19-31(20-25(32)34-2)30-26(24)29-28(21-13-7-4-8-14-21,22-15-9-5-10-16-22)23-17-11-6-12-18-23/h4-19H,3,20H2,1-2H3,(H,29,30)