4-[(E)-2-cyano-2-(1-ethylbenzimidazol-2-yl)ethenyl]-2-methoxy-6-nitro-phenolate

Systemtic Name: 4-[(E)-2-cyano-2-(1-ethylbenzimidazol-2-yl)ethenyl]-2-methoxy-6-nitro-phenolate Openeye Name: 4-[(E)-2-cyano-2-(1-ethylbenzimidazol-2-yl)vinyl]-2-methoxy-6-nitro-phenolate CAS Name: 4-[(E)-2-cyano-2-(1-ethyl-2-benzimidazolyl)ethenyl]-2-methoxy-6-nitrophenolate IUPAC Name: 4-[(E)-2-cyano-2-(1-ethylbenzimidazol-2-yl)ethenyl]-2-methoxy-6-nitrophenolate Traditional Name: 4-[(E)-2-cyano-2-(1-ethylbenzimidazol-2-yl)vinyl]-2-methoxy-6-nitro-phenolate Formula: C19H15N4O4- MolecularWeight: 363.3468

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=CC=CC=C2N=C1C(=CC3=CC(=C(C(=C3)OC)[O-])[N+](=O)[O-])C#N

Isomeric SMILES

CCN1C2=CC=CC=C2N=C1/C(=C/C3=CC(=C(C(=C3)OC)[O-])[N+](=O)[O-])/C#N

InChI

InChI=1S/C19H16N4O4/c1-3-22-15-7-5-4-6-14(15)21-19(22)13(11-20)8-12-9-16(23(25)26)18(24)17(10-12)27-2/h4-10,24H,3H2,1-2H3/p-1/b13-8+