2-[(4-azanylidenepyridin-1-yl)methyl]-5-nitro-isoindole-1,3-dione

Systemtic Name: 2-[(4-azanylidenepyridin-1-yl)methyl]-5-nitro-isoindole-1,3-dione Openeye Name: 2-[(4-imino-1-pyridyl)methyl]-5-nitro-isoindoline-1,3-dione CAS Name: 2-[(4-imino-1-pyridinyl)methyl]-5-nitroisoindole-1,3-dione IUPAC Name: 2-[(4-iminopyridin-1-yl)methyl]-5-nitroisoindole-1,3-dione Traditional Name: 2-[(4-imino-1-pyridyl)methyl]-5-nitro-isoindoline-1,3-quinone Formula: C14H10N4O4 MolecularWeight: 298.2536

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1[N+](=O)[O-])C(=O)N(C2=O)CN3C=CC(=N)C=C3

Isomeric SMILES

C1=CC2=C(C=C1[N+](=O)[O-])C(=O)N(C2=O)CN3C=CC(=N)C=C3

InChI

InChI=1S/C14H10N4O4/c15-9-3-5-16(6-4-9)8-17-13(19)11-2-1-10(18(21)22)7-12(11)14(17)20/h1-7,15H,8H2