[2-[(2,4-dimethylphenyl)methyl-methyl-amino]-2-oxidanylidene-ethyl] 2-methoxy-5-nitro-benzoate

Systemtic Name: [2-[(2,4-dimethylphenyl)methyl-methyl-amino]-2-oxidanylidene-ethyl] 2-methoxy-5-nitro-benzoate Openeye Name: [2-[(2,4-dimethylphenyl)methyl-methyl-amino]-2-oxo-ethyl] 2-methoxy-5-nitro-benzoate CAS Name: 2-methoxy-5-nitrobenzoic acid [2-[(2,4-dimethylphenyl)methyl-methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(2,4-dimethylphenyl)methyl-methylamino]-2-oxoethyl] 2-methoxy-5-nitrobenzoate Traditional Name: 2-methoxy-5-nitro-benzoic acid [2-[(2,4-dimethylbenzyl)-methyl-amino]-2-keto-ethyl] ester Formula: C20H22N2O6 MolecularWeight: 386.39848

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N2O6/c1-13-5-6-15(14(2)9-13)11-21(3)19(23)12-28-20(24)17-10-16(22(25)26)7-8-18(17)27-4/h5-10H,11-12H2,1-4H3