4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(4-nitrophenyl)pyrrolo[3,2-d]pyrimidine-7-carbonitrile

Systemtic Name: 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(4-nitrophenyl)pyrrolo[3,2-d]pyrimidine-7-carbonitrile Openeye Name: 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(4-nitrophenyl)pyrrolo[3,2-d]pyrimidine-7-carbonitrile CAS Name: 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(4-nitrophenyl)-7-pyrrolo[3,2-d]pyrimidinecarbonitrile IUPAC Name: 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(4-nitrophenyl)pyrrolo[3,2-d]pyrimidine-7-carbonitrile Traditional Name: 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(4-nitrophenyl)pyrrolo[3,2-d]pyrimidine-7-carbonitrile Formula: C21H13N5O4 MolecularWeight: 399.35902

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)C3=NC=NC4=C3N(C=C4C#N)C5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)C3=NC=NC4=C3N(C=C4C#N)C5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C21H13N5O4/c22-10-14-11-25(15-2-4-16(5-3-15)26(27)28)21-19(23-12-24-20(14)21)13-1-6-17-18(9-13)30-8-7-29-17/h1-6,9,11-12H,7-8H2