1,3-diethyl-8-[(E)-2-(3-nitrophenyl)ethenyl]-7H-purine-2,6-dione

Systemtic Name: 1,3-diethyl-8-[(E)-2-(3-nitrophenyl)ethenyl]-7H-purine-2,6-dione Openeye Name: 1,3-diethyl-8-[(E)-2-(3-nitrophenyl)vinyl]-7H-purine-2,6-dione CAS Name: 1,3-diethyl-8-[(E)-2-(3-nitrophenyl)ethenyl]-7H-purine-2,6-dione IUPAC Name: 1,3-diethyl-8-[(E)-2-(3-nitrophenyl)ethenyl]-7H-purine-2,6-dione Traditional Name: 1,3-diethyl-8-[(E)-2-(3-nitrophenyl)vinyl]-7H-purine-2,6-quinone Formula: C17H17N5O4 MolecularWeight: 355.34798

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C(=O)N(C1=O)CC)NC(=N2)C=CC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCN1C2=C(C(=O)N(C1=O)CC)NC(=N2)/C=C/C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H17N5O4/c1-3-20-15-14(16(23)21(4-2)17(20)24)18-13(19-15)9-8-11-6-5-7-12(10-11)22(25)26/h5-10H,3-4H2,1-2H3,(H,18,19)/b9-8+