ethyl 2-[[1-(2-hexoxy-2-oxidanylidene-ethyl)imidazol-4-yl]carbamoyl]-6-nitro-benzoate

Systemtic Name: ethyl 2-[[1-(2-hexoxy-2-oxidanylidene-ethyl)imidazol-4-yl]carbamoyl]-6-nitro-benzoate Openeye Name: ethyl 2-[[1-(2-hexoxy-2-oxo-ethyl)imidazol-4-yl]carbamoyl]-6-nitro-benzoate CAS Name: 2-[[[1-(2-hexoxy-2-oxoethyl)-4-imidazolyl]amino]-oxomethyl]-6-nitrobenzoic acid ethyl ester IUPAC Name: ethyl 2-[[1-(2-hexoxy-2-oxoethyl)imidazol-4-yl]carbamoyl]-6-nitrobenzoate Traditional Name: 2-[[1-(2-hexoxy-2-keto-ethyl)imidazol-4-yl]carbamoyl]-6-nitro-benzoic acid ethyl ester Formula: C21H26N4O7 MolecularWeight: 446.45374

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC(=O)CN1C=C(N=C1)NC(=O)C2=C(C(=CC=C2)[N+](=O)[O-])C(=O)OCC

Isomeric SMILES

CCCCCCOC(=O)CN1C=C(N=C1)NC(=O)C2=C(C(=CC=C2)[N+](=O)[O-])C(=O)OCC

InChI

InChI=1S/C21H26N4O7/c1-3-5-6-7-11-32-18(26)13-24-12-17(22-14-24)23-20(27)15-9-8-10-16(25(29)30)19(15)21(28)31-4-2/h8-10,12,14H,3-7,11,13H2,1-2H3,(H,23,27)