3-[(4-bromophenyl)carbamoylamino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide

Systemtic Name: 3-[(4-bromophenyl)carbamoylamino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide Openeye Name: 3-[(4-bromophenyl)carbamoylamino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide CAS Name: 3-[[(4-bromoanilino)-oxomethyl]amino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide IUPAC Name: 3-[(4-bromophenyl)carbamoylamino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide Traditional Name: 3-[(4-bromophenyl)carbamoylamino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propionamide Formula: C18H18BrN3O4 MolecularWeight: 420.25722

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)NC(=O)CCNC(=O)NC3=CC=C(C=C3)Br

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)NC(=O)CCNC(=O)NC3=CC=C(C=C3)Br

InChI

InChI=1S/C18H18BrN3O4/c19-12-1-3-13(4-2-12)22-18(24)20-8-7-17(23)21-14-5-6-15-16(11-14)26-10-9-25-15/h1-6,11H,7-10H2,(H,21,23)(H2,20,22,24)