methyl 4-[2-[[2,6-di(propan-2-yl)phenyl]amino]-2-oxidanylidene-ethoxy]-3-nitro-benzoate

Systemtic Name: methyl 4-[2-[[2,6-di(propan-2-yl)phenyl]amino]-2-oxidanylidene-ethoxy]-3-nitro-benzoate Openeye Name: methyl 4-[2-(2,6-diisopropylanilino)-2-oxo-ethoxy]-3-nitro-benzoate CAS Name: 4-[2-[2,6-di(propan-2-yl)anilino]-2-oxoethoxy]-3-nitrobenzoic acid methyl ester IUPAC Name: methyl 4-[2-[2,6-di(propan-2-yl)anilino]-2-oxoethoxy]-3-nitrobenzoate Traditional Name: 4-[2-(2,6-diisopropylanilino)-2-keto-ethoxy]-3-nitro-benzoic acid methyl ester Formula: C22H26N2O6 MolecularWeight: 414.45164

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C(=CC=C1)C(C)C)NC(=O)COC2=C(C=C(C=C2)C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CC(C)C1=C(C(=CC=C1)C(C)C)NC(=O)COC2=C(C=C(C=C2)C(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C22H26N2O6/c1-13(2)16-7-6-8-17(14(3)4)21(16)23-20(25)12-30-19-10-9-15(22(26)29-5)11-18(19)24(27)28/h6-11,13-14H,12H2,1-5H3,(H,23,25)