[4-[(E)-2-(2,4-dinitrophenyl)ethenyl]-2-methoxy-phenyl] 2-chloranyl-5-nitro-benzoate

Systemtic Name: [4-[(E)-2-(2,4-dinitrophenyl)ethenyl]-2-methoxy-phenyl] 2-chloranyl-5-nitro-benzoate Openeye Name: [4-[(E)-2-(2,4-dinitrophenyl)vinyl]-2-methoxy-phenyl] 2-chloro-5-nitro-benzoate CAS Name: 2-chloro-5-nitrobenzoic acid [4-[(E)-2-(2,4-dinitrophenyl)ethenyl]-2-methoxyphenyl] ester IUPAC Name: [4-[(E)-2-(2,4-dinitrophenyl)ethenyl]-2-methoxyphenyl] 2-chloro-5-nitrobenzoate Traditional Name: 2-chloro-5-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=C(C=CC(=C3)[N+](=O)[O-])Cl

Isomeric SMILES

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

InChI

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