3-[[4-(2,4-dinitrophenoxy)-3-methoxy-phenyl]methylideneamino]benzoate

Systemtic Name: 3-[[4-(2,4-dinitrophenoxy)-3-methoxy-phenyl]methylideneamino]benzoate Openeye Name: 3-[[4-(2,4-dinitrophenoxy)-3-methoxy-phenyl]methyleneamino]benzoate CAS Name: 3-[[4-(2,4-dinitrophenoxy)-3-methoxyphenyl]methylideneamino]benzoate IUPAC Name: 3-[[4-(2,4-dinitrophenoxy)-3-methoxyphenyl]methylideneamino]benzoate Traditional Name: 3-[[4-(2,4-dinitrophenoxy)-3-methoxy-benzylidene]amino]benzoate Formula: C21H14N3O8- MolecularWeight: 436.35116

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=NC2=CC=CC(=C2)C(=O)[O-])OC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=CC(=C1)C=NC2=CC=CC(=C2)C(=O)[O-])OC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C21H15N3O8/c1-31-20-9-13(12-22-15-4-2-3-14(10-15)21(25)26)5-7-19(20)32-18-8-6-16(23(27)28)11-17(18)24(29)30/h2-12H,1H3,(H,25,26)/p-1