3-azanyl-8-nitro-5,6-dihydro-4H-benzo[f]quinazolin-1-one; sulfuric acid; hydrate

Systemtic Name: 3-azanyl-8-nitro-5,6-dihydro-4H-benzo[f]quinazolin-1-one; sulfuric acid; hydrate Openeye Name: 3-amino-8-nitro-5,6-dihydro-4H-benzo[f]quinazolin-1-one; sulfuric acid; hydrate CAS Name: 3-amino-8-nitro-5,6-dihydro-4H-benzo[f]quinazolin-1-one; sulfuric acid; hydrate IUPAC Name: 3-amino-8-nitro-5,6-dihydro-4H-benzo[f]quinazolin-1-one; sulfuric acid; hydrate Traditional Name: 3-amino-8-nitro-5,6-dihydro-4H-benzo[f]quinazolin-1-one; sulfuric acid; hydrate Formula: C12H14N4O8S MolecularWeight: 374.32656

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C3=C1C=C(C=C3)[N+](=O)[O-])C(=O)N=C(N2)N.O.OS(=O)(=O)O

Isomeric SMILES

C1CC2=C(C3=C1C=C(C=C3)[N+](=O)[O-])C(=O)N=C(N2)N.O.OS(=O)(=O)O

InChI

InChI=1S/C12H10N4O3.H2O4S.H2O/c13-12-14-9-4-1-6-5-7(16(18)19)2-3-8(6)10(9)11(17)15-12;1-5(2,3)4;/h2-3,5H,1,4H2,(H3,13,14,15,17);(H2,1,2,3,4);1H2