[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl] 4-(3,5-dimethylpyrazol-1-yl)benzoate

Systemtic Name: [2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl] 4-(3,5-dimethylpyrazol-1-yl)benzoate Openeye Name: [2-(1,3-benzodioxol-5-ylamino)-2-oxo-ethyl] 4-(3,5-dimethylpyrazol-1-yl)benzoate CAS Name: 4-(3,5-dimethyl-1-pyrazolyl)benzoic acid [2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] 4-(3,5-dimethylpyrazol-1-yl)benzoate Traditional Name: 4-(3,5-dimethylpyrazol-1-yl)benzoic acid [2-(1,3-benzodioxol-5-ylamino)-2-keto-ethyl] ester Formula: C21H19N3O5 MolecularWeight: 393.39266

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=CC=C(C=C2)C(=O)OCC(=O)NC3=CC4=C(C=C3)OCO4)C

Isomeric SMILES

CC1=CC(=NN1C2=CC=C(C=C2)C(=O)OCC(=O)NC3=CC4=C(C=C3)OCO4)C

InChI

InChI=1S/C21H19N3O5/c1-13-9-14(2)24(23-13)17-6-3-15(4-7-17)21(26)27-11-20(25)22-16-5-8-18-19(10-16)29-12-28-18/h3-10H,11-12H2,1-2H3,(H,22,25)