[1-(1,3-benzodioxol-5-ylamino)-1-oxidanylidene-propan-2-yl] 2,3-bis(4-methylphenyl)quinoxaline-6-carboxylate

Systemtic Name: [1-(1,3-benzodioxol-5-ylamino)-1-oxidanylidene-propan-2-yl] 2,3-bis(4-methylphenyl)quinoxaline-6-carboxylate Openeye Name: [2-(1,3-benzodioxol-5-ylamino)-1-methyl-2-oxo-ethyl] 2,3-bis(p-tolyl)quinoxaline-6-carboxylate CAS Name: 2,3-bis(4-methylphenyl)-6-quinoxalinecarboxylic acid [1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl] 2,3-bis(4-methylphenyl)quinoxaline-6-carboxylate Traditional Name: 2,3-bis(p-tolyl)quinoxaline-6-carboxylic acid [2-(1,3-benzodioxol-5-ylamino)-2-keto-1-methyl-ethyl] ester Formula: C33H27N3O5 MolecularWeight: 545.58458

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)C(=O)OC(C)C(=O)NC4=CC5=C(C=C4)OCO5)N=C2C6=CC=C(C=C6)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)C(=O)OC(C)C(=O)NC4=CC5=C(C=C4)OCO5)N=C2C6=CC=C(C=C6)C

InChI

InChI=1S/C33H27N3O5/c1-19-4-8-22(9-5-19)30-31(23-10-6-20(2)7-11-23)36-27-16-24(12-14-26(27)35-30)33(38)41-21(3)32(37)34-25-13-15-28-29(17-25)40-18-39-28/h4-17,21H,18H2,1-3H3,(H,34,37)