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

Systemtic Name: [4-[(E)-2-(2,4-dinitrophenyl)ethenyl]-2-methoxy-phenyl] 3,5-dinitrobenzoate Openeye Name: [4-[(E)-2-(2,4-dinitrophenyl)vinyl]-2-methoxy-phenyl] 3,5-dinitrobenzoate CAS Name: 3,5-dinitrobenzoic acid [4-[(E)-2-(2,4-dinitrophenyl)ethenyl]-2-methoxyphenyl] ester IUPAC Name: [4-[(E)-2-(2,4-dinitrophenyl)ethenyl]-2-methoxyphenyl] 3,5-dinitrobenzoate Traditional Name: 3,5-dinitrobenzoic acid [4-[(E)-2-(2,4-dinitrophenyl)vinyl]-2-methoxy-phenyl] ester Formula: C22H14N4O11 MolecularWeight: 510.36676

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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(=CC(=C3)[N+](=O)[O-])[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(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C22H14N4O11/c1-36-21-8-13(2-4-14-5-6-16(23(28)29)12-19(14)26(34)35)3-7-20(21)37-22(27)15-9-17(24(30)31)11-18(10-15)25(32)33/h2-12H,1H3/b4-2+