[(2E)-2-[(2,4-dinitrophenyl)hydrazinylidene]-2-phenyl-ethyl] 3-methylbenzoate

Systemtic Name: [(2E)-2-[(2,4-dinitrophenyl)hydrazinylidene]-2-phenyl-ethyl] 3-methylbenzoate Openeye Name: [(2E)-2-[(2,4-dinitrophenyl)hydrazono]-2-phenyl-ethyl] 3-methylbenzoate CAS Name: 3-methylbenzoic acid [(2E)-2-[(2,4-dinitrophenyl)hydrazinylidene]-2-phenylethyl] ester IUPAC Name: [(2E)-2-[(2,4-dinitrophenyl)hydrazinylidene]-2-phenylethyl] 3-methylbenzoate Traditional Name: 3-methylbenzoic acid [(2E)-2-[(2,4-dinitrophenyl)hydrazono]-2-phenyl-ethyl] ester Formula: C22H18N4O6 MolecularWeight: 434.40152

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)OCC(=NNC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])C3=CC=CC=C3

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)OC/C(=N/NC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])/C3=CC=CC=C3

InChI

InChI=1S/C22H18N4O6/c1-15-6-5-9-17(12-15)22(27)32-14-20(16-7-3-2-4-8-16)24-23-19-11-10-18(25(28)29)13-21(19)26(30)31/h2-13,23H,14H2,1H3/b24-20-