methyl 6-[2-(4H-chromeno[4,3-c]pyrazol-1-yl)ethanoylamino]-1,3-benzodioxole-5-carboxylate

Systemtic Name: methyl 6-[2-(4H-chromeno[4,3-c]pyrazol-1-yl)ethanoylamino]-1,3-benzodioxole-5-carboxylate Openeye Name: methyl 6-[[2-(4H-chromeno[4,3-c]pyrazol-1-yl)acetyl]amino]-1,3-benzodioxole-5-carboxylate CAS Name: 6-[[2-(4H-[1]benzopyrano[4,3-c]pyrazol-1-yl)-1-oxoethyl]amino]-1,3-benzodioxole-5-carboxylic acid methyl ester IUPAC Name: methyl 6-[[2-(4H-chromeno[4,3-c]pyrazol-1-yl)acetyl]amino]-1,3-benzodioxole-5-carboxylate Traditional Name: 6-[[2-(4H-chromeno[4,3-c]pyrazol-1-yl)acetyl]amino]-piperonylic acid methyl ester Formula: C21H17N3O6 MolecularWeight: 407.37618

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1NC(=O)CN3C4=C(COC5=CC=CC=C54)C=N3)OCO2

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1NC(=O)CN3C4=C(COC5=CC=CC=C54)C=N3)OCO2

InChI

InChI=1S/C21H17N3O6/c1-27-21(26)14-6-17-18(30-11-29-17)7-15(14)23-19(25)9-24-20-12(8-22-24)10-28-16-5-3-2-4-13(16)20/h2-8H,9-11H2,1H3,(H,23,25)