ethyl 4-[4-[(2-ethoxy-2-oxidanylidene-ethyl)amino]-2-imidazol-1-yl-5-nitro-phenoxy]benzoate

Systemtic Name: ethyl 4-[4-[(2-ethoxy-2-oxidanylidene-ethyl)amino]-2-imidazol-1-yl-5-nitro-phenoxy]benzoate Openeye Name: ethyl 4-[4-[(2-ethoxy-2-oxo-ethyl)amino]-2-imidazol-1-yl-5-nitro-phenoxy]benzoate CAS Name: 4-[4-[(2-ethoxy-2-oxoethyl)amino]-2-(1-imidazolyl)-5-nitrophenoxy]benzoic acid ethyl ester IUPAC Name: ethyl 4-[4-[(2-ethoxy-2-oxoethyl)amino]-2-imidazol-1-yl-5-nitrophenoxy]benzoate Traditional Name: 4-[4-[(2-ethoxy-2-keto-ethyl)amino]-2-imidazol-1-yl-5-nitro-phenoxy]benzoic acid ethyl ester Formula: C22H22N4O7 MolecularWeight: 454.43268

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CNC1=C(C=C(C(=C1)N2C=CN=C2)OC3=CC=C(C=C3)C(=O)OCC)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)CNC1=C(C=C(C(=C1)N2C=CN=C2)OC3=CC=C(C=C3)C(=O)OCC)[N+](=O)[O-]

InChI

InChI=1S/C22H22N4O7/c1-3-31-21(27)13-24-17-11-19(25-10-9-23-14-25)20(12-18(17)26(29)30)33-16-7-5-15(6-8-16)22(28)32-4-2/h5-12,14,24H,3-4,13H2,1-2H3