O3-[2-[(2-tert-butylphenyl)amino]-2-oxidanylidene-ethyl] O1-ethyl 5-nitrobenzene-1,3-dicarboxylate

Systemtic Name: O3-[2-[(2-tert-butylphenyl)amino]-2-oxidanylidene-ethyl] O1-ethyl 5-nitrobenzene-1,3-dicarboxylate Openeye Name: O3-[2-(2-tert-butylanilino)-2-oxo-ethyl] O1-ethyl 5-nitrobenzene-1,3-dicarboxylate CAS Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-[2-(2-tert-butylanilino)-2-oxoethyl] ester O1-ethyl ester IUPAC Name: 3-O-[2-(2-tert-butylanilino)-2-oxoethyl] 1-O-ethyl 5-nitrobenzene-1,3-dicarboxylate Traditional Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-[2-(2-tert-butylanilino)-2-keto-ethyl] ester O1-ethyl ester Formula: C22H24N2O7 MolecularWeight: 428.43516

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1)C(=O)OCC(=O)NC2=CC=CC=C2C(C)(C)C)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)C(=O)OCC(=O)NC2=CC=CC=C2C(C)(C)C)[N+](=O)[O-]

InChI

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