6-(3-nitrophenyl)-1H-pteridine-2,4-dione

Systemtic Name: 6-(3-nitrophenyl)-1H-pteridine-2,4-dione Openeye Name: 6-(3-nitrophenyl)-1H-pteridine-2,4-dione CAS Name: 6-(3-nitrophenyl)-1H-pteridine-2,4-dione IUPAC Name: 6-(3-nitrophenyl)-1H-pteridine-2,4-dione Traditional Name: 6-(3-nitrophenyl)-1H-pteridine-2,4-quinone Formula: C12H7N5O4 MolecularWeight: 285.21508

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])C2=CN=C3C(=N2)C(=O)NC(=O)N3

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])C2=CN=C3C(=N2)C(=O)NC(=O)N3

InChI

InChI=1S/C12H7N5O4/c18-11-9-10(15-12(19)16-11)13-5-8(14-9)6-2-1-3-7(4-6)17(20)21/h1-5H,(H2,13,15,16,18,19)