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

Systemtic Name: [4-[(E)-2-(2,4-dinitrophenyl)ethenyl]-2-methoxy-phenyl] 3-nitrobenzoate Openeye Name: [4-[(E)-2-(2,4-dinitrophenyl)vinyl]-2-methoxy-phenyl] 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid [4-[(E)-2-(2,4-dinitrophenyl)ethenyl]-2-methoxyphenyl] ester IUPAC Name: [4-[(E)-2-(2,4-dinitrophenyl)ethenyl]-2-methoxyphenyl] 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid [4-[(E)-2-(2,4-dinitrophenyl)vinyl]-2-methoxy-phenyl] ester Formula: C22H15N3O9 MolecularWeight: 465.3692

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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-]

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-]

InChI

InChI=1S/C22H15N3O9/c1-33-21-11-14(5-7-15-8-9-18(24(29)30)13-19(15)25(31)32)6-10-20(21)34-22(26)16-3-2-4-17(12-16)23(27)28/h2-13H,1H3/b7-5+