(phenylmethyl) 2-azanyl-1-(1,3-benzodioxol-5-yl)pyrrolo[3,2-b]quinoxaline-3-carboxylate

Systemtic Name: (phenylmethyl) 2-azanyl-1-(1,3-benzodioxol-5-yl)pyrrolo[3,2-b]quinoxaline-3-carboxylate Openeye Name: benzyl 2-amino-1-(1,3-benzodioxol-5-yl)pyrrolo[3,2-b]quinoxaline-3-carboxylate CAS Name: 2-amino-1-(1,3-benzodioxol-5-yl)-3-pyrrolo[3,2-b]quinoxalinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 2-amino-1-(1,3-benzodioxol-5-yl)pyrrolo[3,2-b]quinoxaline-3-carboxylate Traditional Name: 2-amino-1-(1,3-benzodioxol-5-yl)pyrrolo[3,2-b]quinoxaline-3-carboxylic acid benzyl ester Formula: C25H18N4O4 MolecularWeight: 438.43482

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)N3C(=C(C4=NC5=CC=CC=C5N=C43)C(=O)OCC6=CC=CC=C6)N

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)N3C(=C(C4=NC5=CC=CC=C5N=C43)C(=O)OCC6=CC=CC=C6)N

InChI

InChI=1S/C25H18N4O4/c26-23-21(25(30)31-13-15-6-2-1-3-7-15)22-24(28-18-9-5-4-8-17(18)27-22)29(23)16-10-11-19-20(12-16)33-14-32-19/h1-12H,13-14,26H2