ethyl 1-[4-(1,3-benzodioxol-5-ylcarbamoyl)phenyl]-5-methyl-pyrazole-4-carboxylate

Systemtic Name: ethyl 1-[4-(1,3-benzodioxol-5-ylcarbamoyl)phenyl]-5-methyl-pyrazole-4-carboxylate Openeye Name: ethyl 1-[4-(1,3-benzodioxol-5-ylcarbamoyl)phenyl]-5-methyl-pyrazole-4-carboxylate CAS Name: 1-[4-[(1,3-benzodioxol-5-ylamino)-oxomethyl]phenyl]-5-methyl-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[4-(1,3-benzodioxol-5-ylcarbamoyl)phenyl]-5-methylpyrazole-4-carboxylate Traditional Name: 1-[4-(1,3-benzodioxol-5-ylcarbamoyl)phenyl]-5-methyl-pyrazole-4-carboxylic acid ethyl ester Formula: C21H19N3O5 MolecularWeight: 393.39266

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)C2=CC=C(C=C2)C(=O)NC3=CC4=C(C=C3)OCO4)C

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=CC=C(C=C2)C(=O)NC3=CC4=C(C=C3)OCO4)C

InChI

InChI=1S/C21H19N3O5/c1-3-27-21(26)17-11-22-24(13(17)2)16-7-4-14(5-8-16)20(25)23-15-6-9-18-19(10-15)29-12-28-18/h4-11H,3,12H2,1-2H3,(H,23,25)