[4-oxidanylidene-4-[(2,4,6-trimethylphenyl)amino]butyl] 4,5-dimethoxy-2-nitro-benzoate

Systemtic Name: [4-oxidanylidene-4-[(2,4,6-trimethylphenyl)amino]butyl] 4,5-dimethoxy-2-nitro-benzoate Openeye Name: [4-oxo-4-(2,4,6-trimethylanilino)butyl] 4,5-dimethoxy-2-nitro-benzoate CAS Name: 4,5-dimethoxy-2-nitrobenzoic acid [4-oxo-4-(2,4,6-trimethylanilino)butyl] ester IUPAC Name: [4-oxo-4-(2,4,6-trimethylanilino)butyl] 4,5-dimethoxy-2-nitrobenzoate Traditional Name: 4,5-dimethoxy-2-nitro-benzoic acid (4-keto-4-mesidino-butyl) ester Formula: C22H26N2O7 MolecularWeight: 430.45104

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N2O7/c1-13-9-14(2)21(15(3)10-13)23-20(25)7-6-8-31-22(26)16-11-18(29-4)19(30-5)12-17(16)24(27)28/h9-12H,6-8H2,1-5H3,(H,23,25)