4-(3,4-dinitrophenoxy)-7H-pyrrolo[2,3-d]pyrimidine

Systemtic Name: 4-(3,4-dinitrophenoxy)-7H-pyrrolo[2,3-d]pyrimidine Openeye Name: 4-(3,4-dinitrophenoxy)-7H-pyrrolo[2,3-d]pyrimidine CAS Name: 4-(3,4-dinitrophenoxy)-7H-pyrrolo[2,3-d]pyrimidine IUPAC Name: 4-(3,4-dinitrophenoxy)-7H-pyrrolo[2,3-d]pyrimidine Traditional Name: 4-(3,4-dinitrophenoxy)-7H-pyrrolo[2,3-d]pyrimidine Formula: C12H7N5O5 MolecularWeight: 301.21448

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1OC2=NC=NC3=C2C=CN3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC(=C(C=C1OC2=NC=NC3=C2C=CN3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C12H7N5O5/c18-16(19)9-2-1-7(5-10(9)17(20)21)22-12-8-3-4-13-11(8)14-6-15-12/h1-6H,(H,13,14,15)