[4-(2-cyano-2-phenyl-ethenyl)-2-methoxy-phenyl] 3,5-dinitrobenzoate

Systemtic Name: [4-(2-cyano-2-phenyl-ethenyl)-2-methoxy-phenyl] 3,5-dinitrobenzoate Openeye Name: [4-(2-cyano-2-phenyl-vinyl)-2-methoxy-phenyl] 3,5-dinitrobenzoate CAS Name: 3,5-dinitrobenzoic acid [4-(2-cyano-2-phenylethenyl)-2-methoxyphenyl] ester IUPAC Name: [4-(2-cyano-2-phenylethenyl)-2-methoxyphenyl] 3,5-dinitrobenzoate Traditional Name: 3,5-dinitrobenzoic acid [4-(2-cyano-2-phenyl-vinyl)-2-methoxy-phenyl] ester Formula: C23H15N3O7 MolecularWeight: 445.3811

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=C(C#N)C2=CC=CC=C2)OC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=CC(=C1)C=C(C#N)C2=CC=CC=C2)OC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C23H15N3O7/c1-32-22-10-15(9-18(14-24)16-5-3-2-4-6-16)7-8-21(22)33-23(27)17-11-19(25(28)29)13-20(12-17)26(30)31/h2-13H,1H3