[4-[(E)-2-(2,4-dinitrophenyl)ethenyl]-2-methoxy-phenyl] 4-chloranyl-3-nitro-benzoate

Systemtic Name: [4-[(E)-2-(2,4-dinitrophenyl)ethenyl]-2-methoxy-phenyl] 4-chloranyl-3-nitro-benzoate Openeye Name: [4-[(E)-2-(2,4-dinitrophenyl)vinyl]-2-methoxy-phenyl] 4-chloro-3-nitro-benzoate CAS Name: 4-chloro-3-nitrobenzoic acid [4-[(E)-2-(2,4-dinitrophenyl)ethenyl]-2-methoxyphenyl] ester IUPAC Name: [4-[(E)-2-(2,4-dinitrophenyl)ethenyl]-2-methoxyphenyl] 4-chloro-3-nitrobenzoate Traditional Name: 4-chloro-3-nitro-benzoic acid [4-[(E)-2-(2,4-dinitrophenyl)vinyl]-2-methoxy-phenyl] ester Formula: C22H14ClN3O9 MolecularWeight: 499.81426

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=CC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])OC(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C22H14ClN3O9/c1-34-21-10-13(2-4-14-5-7-16(24(28)29)12-18(14)25(30)31)3-9-20(21)35-22(27)15-6-8-17(23)19(11-15)26(32)33/h2-12H,1H3/b4-2+