(1R)-3-azanyl-1-(4-nitrophenyl)-4,5-dihydro-1H-[1,3,5]triazino[1,2-a]quinazolin-11-ium-6-one

Systemtic Name: (1R)-3-azanyl-1-(4-nitrophenyl)-4,5-dihydro-1H-[1,3,5]triazino[1,2-a]quinazolin-11-ium-6-one Openeye Name: (1R)-3-amino-1-(4-nitrophenyl)-4,5-dihydro-1H-[1,3,5]triazino[1,2-a]quinazolin-11-ium-6-one CAS Name: (1R)-3-amino-1-(4-nitrophenyl)-4,5-dihydro-1H-[1,3,5]triazino[1,2-a]quinazolin-11-ium-6-one IUPAC Name: (1R)-3-amino-1-(4-nitrophenyl)-4,5-dihydro-1H-[1,3,5]triazino[1,2-a]quinazolin-11-ium-6-one Traditional Name: (1R)-3-amino-1-(4-nitrophenyl)-4,5-dihydro-1H-[1,3,5]triazino[1,2-a]quinazolin-11-ium-6-one Formula: C16H13N6O3+ MolecularWeight: 337.31282

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)NC3=[N+]2C(N=C(N3)N)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)NC3=[N+]2[C@@H](N=C(N3)N)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C16H12N6O3/c17-15-18-13(9-5-7-10(8-6-9)22(24)25)21-12-4-2-1-3-11(12)14(23)19-16(21)20-15/h1-8,13H,(H3,17,18,19,20,23)/p+1/t13-/m1/s1