[(E)-1-(4-nitrophenyl)-2-(1-prop-2-enylbenzimidazol-2-yl)ethenyl] 4-nitrobenzoate

Systemtic Name: [(E)-1-(4-nitrophenyl)-2-(1-prop-2-enylbenzimidazol-2-yl)ethenyl] 4-nitrobenzoate Openeye Name: [(E)-2-(1-allylbenzimidazol-2-yl)-1-(4-nitrophenyl)vinyl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [(E)-1-(4-nitrophenyl)-2-(1-prop-2-enyl-2-benzimidazolyl)ethenyl] ester IUPAC Name: [(E)-1-(4-nitrophenyl)-2-(1-prop-2-enylbenzimidazol-2-yl)ethenyl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [(E)-2-(1-allylbenzimidazol-2-yl)-1-(4-nitrophenyl)vinyl] ester Formula: C25H18N4O6 MolecularWeight: 470.43362

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C2=CC=CC=C2N=C1C=C(C3=CC=C(C=C3)[N+](=O)[O-])OC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C=CCN1C2=CC=CC=C2N=C1/C=C(\C3=CC=C(C=C3)[N+](=O)[O-])/OC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C25H18N4O6/c1-2-15-27-22-6-4-3-5-21(22)26-24(27)16-23(17-7-11-19(12-8-17)28(31)32)35-25(30)18-9-13-20(14-10-18)29(33)34/h2-14,16H,1,15H2/b23-16+