[[cyano-(1-methylbenzimidazol-1-ium-2-ylidene)methyl]amino] benzoate

Systemtic Name: [[cyano-(1-methylbenzimidazol-1-ium-2-ylidene)methyl]amino] benzoate Openeye Name: [[cyano-(1-methylbenzimidazol-1-ium-2-ylidene)methyl]amino] benzoate CAS Name: benzoic acid [[cyano-(1-methyl-2-benzimidazol-1-iumylidene)methyl]amino] ester IUPAC Name: [[cyano-(1-methylbenzimidazol-1-ium-2-ylidene)methyl]amino] benzoate Traditional Name: benzoic acid [[cyano-(1-methylbenzimidazol-1-ium-2-ylidene)methyl]amino] ester Formula: C17H13N4O2+ MolecularWeight: 305.31072

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C2C=CC=CC2=NC1=C(C#N)NOC(=O)C3=CC=CC=C3

Isomeric SMILES

C[N+]1=C2C=CC=CC2=NC1=C(C#N)NOC(=O)C3=CC=CC=C3

InChI

InChI=1S/C17H12N4O2/c1-21-15-10-6-5-9-13(15)19-16(21)14(11-18)20-23-17(22)12-7-3-2-4-8-12/h2-10H,1H3/p+1