(Z)-[5-azanylidene-3-[(phenylmethyl)amino]-1,2,3-oxadiazol-3-ium-4-ylidene]-phenyl-methanolate

Systemtic Name: (Z)-[5-azanylidene-3-[(phenylmethyl)amino]-1,2,3-oxadiazol-3-ium-4-ylidene]-phenyl-methanolate Openeye Name: (Z)-[3-(benzylamino)-5-imino-oxadiazol-3-ium-4-ylidene]-phenyl-methanolate CAS Name: (Z)-[5-imino-3-[(phenylmethyl)amino]-4-oxadiazol-3-iumylidene]-phenylmethanolate IUPAC Name: (Z)-[3-(benzylamino)-5-iminooxadiazol-3-ium-4-ylidene]-phenylmethanolate Traditional Name: (Z)-[3-(benzylamino)-5-imino-oxadiazol-3-ium-4-ylidene]-phenyl-methanolate Formula: C16H14N4O2 MolecularWeight: 294.30796

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN[N+]2=NOC(=N)C2=C(C3=CC=CC=C3)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CN[N+]\2=NOC(=N)/C2=C(\C3=CC=CC=C3)/[O-]

InChI

InChI=1S/C16H14N4O2/c17-16-14(15(21)13-9-5-2-6-10-13)20(19-22-16)18-11-12-7-3-1-4-8-12/h1-10H,11H2,(H2-,17,18,19,21)