N-[(E)-(3-methyl-2-nitro-imidazol-4-yl)methylideneamino]-2-pyridin-1-ium-1-yl-ethanamide

Systemtic Name: N-[(E)-(3-methyl-2-nitro-imidazol-4-yl)methylideneamino]-2-pyridin-1-ium-1-yl-ethanamide Openeye Name: N-[(E)-(3-methyl-2-nitro-imidazol-4-yl)methyleneamino]-2-pyridin-1-ium-1-yl-acetamide CAS Name: N-[(E)-(3-methyl-2-nitro-4-imidazolyl)methylideneamino]-2-(1-pyridin-1-iumyl)acetamide IUPAC Name: N-[(E)-(3-methyl-2-nitroimidazol-4-yl)methylideneamino]-2-pyridin-1-ium-1-ylacetamide Traditional Name: N-[(E)-(3-methyl-2-nitro-imidazol-4-yl)methyleneamino]-2-pyridin-1-ium-1-yl-acetamide Formula: C12H13N6O3+ MolecularWeight: 289.27002

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CN=C1[N+](=O)[O-])C=NNC(=O)C[N+]2=CC=CC=C2

Isomeric SMILES

CN1C(=CN=C1[N+](=O)[O-])/C=N/NC(=O)C[N+]2=CC=CC=C2

InChI

InChI=1S/C12H12N6O3/c1-16-10(7-13-12(16)18(20)21)8-14-15-11(19)9-17-5-3-2-4-6-17/h2-8H,9H2,1H3/p+1/b14-8+