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

Systemtic Name: ethyl 2-imidazol-1-yl-4-[[2-[(2-methylpropan-2-yl)oxy]-2-oxidanylidene-ethyl]amino]-5-nitro-benzoate Openeye Name: ethyl 4-[(2-tert-butoxy-2-oxo-ethyl)amino]-2-imidazol-1-yl-5-nitro-benzoate CAS Name: 2-(1-imidazolyl)-4-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]-5-nitrobenzoic acid ethyl ester IUPAC Name: ethyl 2-imidazol-1-yl-4-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]-5-nitrobenzoate Traditional Name: 4-[(2-tert-butoxy-2-keto-ethyl)amino]-2-imidazol-1-yl-5-nitro-benzoic acid ethyl ester Formula: C18H22N4O6 MolecularWeight: 390.39048

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(C=C1N2C=CN=C2)NCC(=O)OC(C)(C)C)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=C(C=C1N2C=CN=C2)NCC(=O)OC(C)(C)C)[N+](=O)[O-]

InChI

InChI=1S/C18H22N4O6/c1-5-27-17(24)12-8-15(22(25)26)13(9-14(12)21-7-6-19-11-21)20-10-16(23)28-18(2,3)4/h6-9,11,20H,5,10H2,1-4H3