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

Systemtic Name: 3-(4-aminophenyl)-1,4a-dihydroquinazolin-3-ium-4,7-dione Openeye Name: 3-(4-aminophenyl)-1,4a-dihydroquinazolin-3-ium-4,7-dione CAS Name: 3-(4-aminophenyl)-1,4a-dihydroquinazolin-3-ium-4,7-dione IUPAC Name: 3-(4-aminophenyl)-1,4a-dihydroquinazolin-3-ium-4,7-dione Traditional Name: 3-(4-aminophenyl)-1,4a-dihydroquinazolin-3-ium-4,7-quinone Formula: C14H12N3O2+ MolecularWeight: 254.26398

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H11N3O2/c15-9-1-3-10(4-2-9)17-8-16-13-7-11(18)5-6-12(13)14(17)19/h1-8,12H,15H2/p+1