[2-[[2,6-di(propan-2-yl)phenyl]amino]-2-oxidanylidene-ethyl] 4,5-dimethoxy-2-nitro-benzoate

Systemtic Name: [2-[[2,6-di(propan-2-yl)phenyl]amino]-2-oxidanylidene-ethyl] 4,5-dimethoxy-2-nitro-benzoate Openeye Name: [2-(2,6-diisopropylanilino)-2-oxo-ethyl] 4,5-dimethoxy-2-nitro-benzoate CAS Name: 4,5-dimethoxy-2-nitrobenzoic acid [2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl] 4,5-dimethoxy-2-nitrobenzoate Traditional Name: 4,5-dimethoxy-2-nitro-benzoic acid [2-(2,6-diisopropylanilino)-2-keto-ethyl] ester Formula: C23H28N2O7 MolecularWeight: 444.47762

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28N2O7/c1-13(2)15-8-7-9-16(14(3)4)22(15)24-21(26)12-32-23(27)17-10-19(30-5)20(31-6)11-18(17)25(28)29/h7-11,13-14H,12H2,1-6H3,(H,24,26)