N-[2-[(2-bromophenyl)amino]-2-oxidanylidene-ethyl]-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrazole-4-carboxamide

Systemtic Name: N-[2-[(2-bromophenyl)amino]-2-oxidanylidene-ethyl]-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrazole-4-carboxamide Openeye Name: N-[2-(2-bromoanilino)-2-oxo-ethyl]-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrazole-4-carboxamide CAS Name: N-[2-(2-bromoanilino)-2-oxoethyl]-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrazole-4-carboxamide IUPAC Name: N-[2-(2-bromoanilino)-2-oxoethyl]-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrazole-4-carboxamide Traditional Name: N-[2-(2-bromoanilino)-2-keto-ethyl]-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrazole-4-carboxamide Formula: C20H17BrN4O4 MolecularWeight: 457.27738

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)C3=C(C=NN3)C(=O)NCC(=O)NC4=CC=CC=C4Br

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)C3=C(C=NN3)C(=O)NCC(=O)NC4=CC=CC=C4Br

InChI

InChI=1S/C20H17BrN4O4/c21-14-3-1-2-4-15(14)24-18(26)11-22-20(27)13-10-23-25-19(13)12-5-6-16-17(9-12)29-8-7-28-16/h1-6,9-10H,7-8,11H2,(H,22,27)(H,23,25)(H,24,26)