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

Systemtic Name: 5-(1,3-benzodioxol-5-yl)-4-(3-nitrophenyl)pyrrolo[3,2-d]pyrimidine-7-carbonitrile Openeye Name: 5-(1,3-benzodioxol-5-yl)-4-(3-nitrophenyl)pyrrolo[3,2-d]pyrimidine-7-carbonitrile CAS Name: 5-(1,3-benzodioxol-5-yl)-4-(3-nitrophenyl)-7-pyrrolo[3,2-d]pyrimidinecarbonitrile IUPAC Name: 5-(1,3-benzodioxol-5-yl)-4-(3-nitrophenyl)pyrrolo[3,2-d]pyrimidine-7-carbonitrile Traditional Name: 5-(1,3-benzodioxol-5-yl)-4-(3-nitrophenyl)pyrrolo[3,2-d]pyrimidine-7-carbonitrile Formula: C20H11N5O4 MolecularWeight: 385.33244

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)N3C=C(C4=C3C(=NC=N4)C5=CC(=CC=C5)[N+](=O)[O-])C#N

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)N3C=C(C4=C3C(=NC=N4)C5=CC(=CC=C5)[N+](=O)[O-])C#N

InChI

InChI=1S/C20H11N5O4/c21-8-13-9-24(14-4-5-16-17(7-14)29-11-28-16)20-18(22-10-23-19(13)20)12-2-1-3-15(6-12)25(26)27/h1-7,9-10H,11H2