[4-(2,2-dicyanoethenyl)phenyl] 4-methyl-3-nitro-benzoate

Systemtic Name: [4-(2,2-dicyanoethenyl)phenyl] 4-methyl-3-nitro-benzoate Openeye Name: [4-(2,2-dicyanovinyl)phenyl] 4-methyl-3-nitro-benzoate CAS Name: 4-methyl-3-nitrobenzoic acid [4-(2,2-dicyanoethenyl)phenyl] ester IUPAC Name: [4-(2,2-dicyanoethenyl)phenyl] 4-methyl-3-nitrobenzoate Traditional Name: 4-methyl-3-nitro-benzoic acid [4-(2,2-dicyanovinyl)phenyl] ester Formula: C18H11N3O4 MolecularWeight: 333.29764

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC2=CC=C(C=C2)C=C(C#N)C#N)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC2=CC=C(C=C2)C=C(C#N)C#N)[N+](=O)[O-]

InChI

InChI=1S/C18H11N3O4/c1-12-2-5-15(9-17(12)21(23)24)18(22)25-16-6-3-13(4-7-16)8-14(10-19)11-20/h2-9H,1H3