methyl 2-[4-[[3-(dimethylamino)-2,2-dimethyl-propyl]amino]-3-nitro-phenyl]carbonylbenzoate

Systemtic Name: methyl 2-[4-[[3-(dimethylamino)-2,2-dimethyl-propyl]amino]-3-nitro-phenyl]carbonylbenzoate Openeye Name: methyl 2-[4-[[3-(dimethylamino)-2,2-dimethyl-propyl]amino]-3-nitro-benzoyl]benzoate CAS Name: 2-[[4-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-3-nitrophenyl]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 2-[4-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-3-nitrobenzoyl]benzoate Traditional Name: 2-[4-[[3-(dimethylamino)-2,2-dimethyl-propyl]amino]-3-nitro-benzoyl]benzoic acid methyl ester Formula: C22H27N3O5 MolecularWeight: 413.46688

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CNC1=C(C=C(C=C1)C(=O)C2=CC=CC=C2C(=O)OC)[N+](=O)[O-])CN(C)C

Isomeric SMILES

CC(C)(CNC1=C(C=C(C=C1)C(=O)C2=CC=CC=C2C(=O)OC)[N+](=O)[O-])CN(C)C

InChI

InChI=1S/C22H27N3O5/c1-22(2,14-24(3)4)13-23-18-11-10-15(12-19(18)25(28)29)20(26)16-8-6-7-9-17(16)21(27)30-5/h6-12,23H,13-14H2,1-5H3