3-(4-nitrophenyl)-1,4a-dihydroquinazolin-3-ium-4,7-dione

Systemtic Name: 3-(4-nitrophenyl)-1,4a-dihydroquinazolin-3-ium-4,7-dione Openeye Name: 3-(4-nitrophenyl)-1,4a-dihydroquinazolin-3-ium-4,7-dione CAS Name: 3-(4-nitrophenyl)-1,4a-dihydroquinazolin-3-ium-4,7-dione IUPAC Name: 3-(4-nitrophenyl)-1,4a-dihydroquinazolin-3-ium-4,7-dione Traditional Name: 3-(4-nitrophenyl)-1,4a-dihydroquinazolin-3-ium-4,7-quinone Formula: C14H10N3O4+ MolecularWeight: 284.2469

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=O)C=C2C1C(=O)[N+](=CN2)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=O)C=C2C1C(=O)[N+](=CN2)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C14H9N3O4/c18-11-5-6-12-13(7-11)15-8-16(14(12)19)9-1-3-10(4-2-9)17(20)21/h1-8,12H/p+1