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5-nitro-2-[(pyridin-1-ium-2-ylamino)methyl]isoindole-1,3-dione

5-nitro-2-[(pyridin-1-ium-2-ylamino)methyl]isoindole-1,3-dione

Systemtic Name:5-nitro-2-[(pyridin-1-ium-2-ylamino)methyl]isoindole-1,3-dione
Openeye Name:5-nitro-2-[(pyridin-1-ium-2-ylamino)methyl]isoindoline-1,3-dione
CAS Name:5-nitro-2-[(2-pyridin-1-iumylamino)methyl]isoindole-1,3-dione
IUPAC Name:5-nitro-2-[(pyridin-1-ium-2-ylamino)methyl]isoindole-1,3-dione
Traditional Name:5-nitro-2-[(pyridin-1-ium-2-ylamino)methyl]isoindoline-1,3-quinone
Formula: C14H11N4O4+
MolecularWeight: 299.26154
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[NH+]C(=C1)NCN2C(=O)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-]


Isomeric SMILES

C1=CC=[NH+]C(=C1)NCN2C(=O)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-]


InChI

InChI=1S/C14H10N4O4/c19-13-10-5-4-9(18(21)22)7-11(10)14(20)17(13)8-16-12-3-1-2-6-15-12/h1-7H,8H2,(H,15,16)/p+1


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