(E)-[3,6-dimethyl-2-phenyl-5-(phenylcarbonyl)pyrrolo[2,1-c][1,2,4]triazol-4-ium-7-ylidene]-ethoxy-methanolate

Systemtic Name: (E)-[3,6-dimethyl-2-phenyl-5-(phenylcarbonyl)pyrrolo[2,1-c][1,2,4]triazol-4-ium-7-ylidene]-ethoxy-methanolate Openeye Name: (E)-(5-benzoyl-3,6-dimethyl-2-phenyl-pyrrolo[2,1-c][1,2,4]triazol-4-ium-7-ylidene)-ethoxy-methanolate CAS Name: (E)-(5-benzoyl-3,6-dimethyl-2-phenyl-7-pyrrolo[2,1-c][1,2,4]triazol-4-iumylidene)-ethoxymethanolate IUPAC Name: (E)-(5-benzoyl-3,6-dimethyl-2-phenylpyrrolo[2,1-c][1,2,4]triazol-4-ium-7-ylidene)-ethoxymethanolate Traditional Name: (E)-(5-benzoyl-3,6-dimethyl-2-phenyl-pyrrolo[2,1-c][1,2,4]triazol-4-ium-7-ylidene)-ethoxy-methanolate Formula: C23H21N3O3 MolecularWeight: 387.43114

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=C1C(=C([N+]2=C(N(N=C12)C3=CC=CC=C3)C)C(=O)C4=CC=CC=C4)C)[O-]

Isomeric SMILES

CCO/C(=C/1\C(=C([N+]2=C(N(N=C12)C3=CC=CC=C3)C)C(=O)C4=CC=CC=C4)C)/[O-]

InChI

InChI=1S/C23H21N3O3/c1-4-29-23(28)19-15(2)20(21(27)17-11-7-5-8-12-17)25-16(3)26(24-22(19)25)18-13-9-6-10-14-18/h5-14H,4H2,1-3H3