[2-[2-(4-methoxyphenyl)-2-oxidanylidene-ethanehydrazonoyl]phenyl] 3,5-dinitrobenzoate

Systemtic Name: [2-[2-(4-methoxyphenyl)-2-oxidanylidene-ethanehydrazonoyl]phenyl] 3,5-dinitrobenzoate Openeye Name: [2-[2-(4-methoxyphenyl)-2-oxo-ethanehydrazonoyl]phenyl] 3,5-dinitrobenzoate CAS Name: 3,5-dinitrobenzoic acid [2-[(1E)-1-hydrazinylidene-2-(4-methoxyphenyl)-2-oxoethyl]phenyl] ester IUPAC Name: [2-[2-(4-methoxyphenyl)-2-oxoethanehydrazonoyl]phenyl] 3,5-dinitrobenzoate Traditional Name: 3,5-dinitrobenzoic acid [2-[2-keto-2-(4-methoxyphenyl)acetohydrazonoyl]phenyl] ester Formula: C22H16N4O8 MolecularWeight: 464.38444

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)C(=NN)C2=CC=CC=C2OC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)/C(=N/N)/C2=CC=CC=C2OC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C22H16N4O8/c1-33-17-8-6-13(7-9-17)21(27)20(24-23)18-4-2-3-5-19(18)34-22(28)14-10-15(25(29)30)12-16(11-14)26(31)32/h2-12H,23H2,1H3/b24-20+