O1-methyl O3-[1-[(2-methyl-6-propan-2-yl-phenyl)amino]-1-oxidanylidene-propan-2-yl] 5-nitrobenzene-1,3-dicarboxylate

Systemtic Name: O1-methyl O3-[1-[(2-methyl-6-propan-2-yl-phenyl)amino]-1-oxidanylidene-propan-2-yl] 5-nitrobenzene-1,3-dicarboxylate Openeye Name: O3-[2-(2-isopropyl-6-methyl-anilino)-1-methyl-2-oxo-ethyl] O1-methyl 5-nitrobenzene-1,3-dicarboxylate CAS Name: 5-nitrobenzene-1,3-dicarboxylic acid O1-methyl ester O3-[1-(2-methyl-6-propan-2-ylanilino)-1-oxopropan-2-yl] ester IUPAC Name: 1-O-methyl 3-O-[1-(2-methyl-6-propan-2-ylanilino)-1-oxopropan-2-yl] 5-nitrobenzene-1,3-dicarboxylate Traditional Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-[2-(2-isopropyl-6-methyl-anilino)-2-keto-1-methyl-ethyl] ester O1-methyl ester Formula: C22H24N2O7 MolecularWeight: 428.43516

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C(C)C)NC(=O)C(C)OC(=O)C2=CC(=CC(=C2)C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=CC=C1)C(C)C)NC(=O)C(C)OC(=O)C2=CC(=CC(=C2)C(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C22H24N2O7/c1-12(2)18-8-6-7-13(3)19(18)23-20(25)14(4)31-22(27)16-9-15(21(26)30-5)10-17(11-16)24(28)29/h6-12,14H,1-5H3,(H,23,25)