[(12aS)-8-nitro-12aH-[1,3]benzoxazolo[2,3-b]quinazolin-11-ium-12-ylidene]azanium

Systemtic Name: [(12aS)-8-nitro-12aH-[1,3]benzoxazolo[2,3-b]quinazolin-11-ium-12-ylidene]azanium Openeye Name: [(12aS)-8-nitro-12aH-[1,3]benzoxazolo[2,3-b]quinazolin-11-ium-12-ylidene]ammonium CAS Name: [(12aS)-8-nitro-12aH-[1,3]benzoxazolo[2,3-b]quinazolin-11-ium-12-ylidene]ammonium IUPAC Name: [(12aS)-8-nitro-12aH-[1,3]benzoxazolo[2,3-b]quinazolin-11-ium-12-ylidene]azanium Traditional Name: [(12aS)-8-nitro-12aH-[1,3]benzoxazolo[2,3-b]quinazolin-11-ium-12-ylidene]ammonium Formula: C14H10N4O3+2 MolecularWeight: 282.2542

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2C(=NC3=[N+](C2=[NH2+])C4=C(O3)C=C(C=C4)[N+](=O)[O-])C=C1

Isomeric SMILES

C1=C[C@H]2C(=NC3=[N+](C2=[NH2+])C4=C(O3)C=C(C=C4)[N+](=O)[O-])C=C1

InChI

InChI=1S/C14H9N4O3/c15-13-9-3-1-2-4-10(9)16-14-17(13)11-6-5-8(18(19)20)7-12(11)21-14/h1-7,9,15H/q+1/p+1/t9-/m0/s1