[4-(2,2-dicyanoethenyl)phenyl] 4-methyl-3,5-dinitro-benzoate

Systemtic Name: [4-(2,2-dicyanoethenyl)phenyl] 4-methyl-3,5-dinitro-benzoate Openeye Name: [4-(2,2-dicyanovinyl)phenyl] 4-methyl-3,5-dinitro-benzoate CAS Name: 4-methyl-3,5-dinitrobenzoic acid [4-(2,2-dicyanoethenyl)phenyl] ester IUPAC Name: [4-(2,2-dicyanoethenyl)phenyl] 4-methyl-3,5-dinitrobenzoate Traditional Name: 4-methyl-3,5-dinitro-benzoic acid [4-(2,2-dicyanovinyl)phenyl] ester Formula: C18H10N4O6 MolecularWeight: 378.2952

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H10N4O6/c1-11-16(21(24)25)7-14(8-17(11)22(26)27)18(23)28-15-4-2-12(3-5-15)6-13(9-19)10-20/h2-8H,1H3