[4-(2,2-dicyanoethenyl)phenyl] 3-nitrobenzoate

Systemtic Name: [4-(2,2-dicyanoethenyl)phenyl] 3-nitrobenzoate Openeye Name: [4-(2,2-dicyanovinyl)phenyl] 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid [4-(2,2-dicyanoethenyl)phenyl] ester IUPAC Name: [4-(2,2-dicyanoethenyl)phenyl] 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid [4-(2,2-dicyanovinyl)phenyl] ester Formula: C17H9N3O4 MolecularWeight: 319.27106

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)OC2=CC=C(C=C2)C=C(C#N)C#N

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)OC2=CC=C(C=C2)C=C(C#N)C#N

InChI

InChI=1S/C17H9N3O4/c18-10-13(11-19)8-12-4-6-16(7-5-12)24-17(21)14-2-1-3-15(9-14)20(22)23/h1-9H