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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=CC=C1NC(=O)C(C)OC(=O)C2=CC(=CC(=C2)C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CCC(C)C1=CC=CC=C1NC(=O)C(C)OC(=O)C2=CC(=CC(=C2)C(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C22H24N2O7/c1-5-13(2)18-8-6-7-9-19(18)23-20(25)14(3)31-22(27)16-10-15(21(26)30-4)11-17(12-16)24(28)29/h6-14H,5H2,1-4H3,(H,23,25)