2-[2-(4-nitrophenyl)-2-oxidanylidene-ethyl]-7,8-dihydro-6H-purino[7,8-a]pyrrol-1-one

Systemtic Name: 2-[2-(4-nitrophenyl)-2-oxidanylidene-ethyl]-7,8-dihydro-6H-purino[7,8-a]pyrrol-1-one Openeye Name: 2-[2-(4-nitrophenyl)-2-oxo-ethyl]-7,8-dihydro-6H-purino[7,8-a]pyrrol-1-one CAS Name: 2-[2-(4-nitrophenyl)-2-oxoethyl]-7,8-dihydro-6H-purino[7,8-a]pyrrol-1-one IUPAC Name: 2-[2-(4-nitrophenyl)-2-oxoethyl]-7,8-dihydro-6H-purino[7,8-a]pyrrol-1-one Traditional Name: 2-[2-keto-2-(4-nitrophenyl)ethyl]-7,8-dihydro-6H-purino[7,8-a]pyrrol-1-one Formula: C16H13N5O4 MolecularWeight: 339.30552

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=NC3=C(N2C1)C(=O)N(C=N3)CC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1CC2=NC3=C(N2C1)C(=O)N(C=N3)CC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C16H13N5O4/c22-12(10-3-5-11(6-4-10)21(24)25)8-19-9-17-15-14(16(19)23)20-7-1-2-13(20)18-15/h3-6,9H,1-2,7-8H2