ethyl 1-[4-[(6-chloranyl-1,3-benzodioxol-5-yl)carbamoyl]phenyl]-5-methyl-pyrazole-4-carboxylate

Systemtic Name: ethyl 1-[4-[(6-chloranyl-1,3-benzodioxol-5-yl)carbamoyl]phenyl]-5-methyl-pyrazole-4-carboxylate Openeye Name: ethyl 1-[4-[(6-chloro-1,3-benzodioxol-5-yl)carbamoyl]phenyl]-5-methyl-pyrazole-4-carboxylate CAS Name: 1-[4-[[(6-chloro-1,3-benzodioxol-5-yl)amino]-oxomethyl]phenyl]-5-methyl-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[4-[(6-chloro-1,3-benzodioxol-5-yl)carbamoyl]phenyl]-5-methylpyrazole-4-carboxylate Traditional Name: 1-[4-[(6-chloro-1,3-benzodioxol-5-yl)carbamoyl]phenyl]-5-methyl-pyrazole-4-carboxylic acid ethyl ester Formula: C21H18ClN3O5 MolecularWeight: 427.83772

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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=C3Cl)OCO4)C

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=CC=C(C=C2)C(=O)NC3=CC4=C(C=C3Cl)OCO4)C

InChI

InChI=1S/C21H18ClN3O5/c1-3-28-21(27)15-10-23-25(12(15)2)14-6-4-13(5-7-14)20(26)24-17-9-19-18(8-16(17)22)29-11-30-19/h4-10H,3,11H2,1-2H3,(H,24,26)