5-[methyl-[(1-oxidanidylpyridin-1-ium-4-yl)methyl]amino]-8-nitro-naphthalene-1-carbonitrile

Systemtic Name: 5-[methyl-[(1-oxidanidylpyridin-1-ium-4-yl)methyl]amino]-8-nitro-naphthalene-1-carbonitrile Openeye Name: 5-[methyl-[(1-oxidopyridin-1-ium-4-yl)methyl]amino]-8-nitro-naphthalene-1-carbonitrile CAS Name: 5-[methyl-[(1-oxido-4-pyridin-1-iumyl)methyl]amino]-8-nitro-1-naphthalenecarbonitrile IUPAC Name: 5-[methyl-[(1-oxidopyridin-1-ium-4-yl)methyl]amino]-8-nitronaphthalene-1-carbonitrile Traditional Name: 5-[methyl-[(1-oxidopyridin-1-ium-4-yl)methyl]amino]-8-nitro-naphthalene-1-carbonitrile Formula: C18H14N4O3 MolecularWeight: 334.32876

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=[N+](C=C1)[O-])C2=CC=C(C3=C(C=CC=C23)C#N)[N+](=O)[O-]

Isomeric SMILES

CN(CC1=CC=[N+](C=C1)[O-])C2=CC=C(C3=C(C=CC=C23)C#N)[N+](=O)[O-]

InChI

InChI=1S/C18H14N4O3/c1-20(12-13-7-9-21(23)10-8-13)16-5-6-17(22(24)25)18-14(11-19)3-2-4-15(16)18/h2-10H,12H2,1H3