methyl 4-[2-[(2,4-dimethylphenyl)methyl-methyl-amino]-2-oxidanylidene-ethoxy]-3-nitro-benzoate

Systemtic Name: methyl 4-[2-[(2,4-dimethylphenyl)methyl-methyl-amino]-2-oxidanylidene-ethoxy]-3-nitro-benzoate Openeye Name: methyl 4-[2-[(2,4-dimethylphenyl)methyl-methyl-amino]-2-oxo-ethoxy]-3-nitro-benzoate CAS Name: 4-[2-[(2,4-dimethylphenyl)methyl-methylamino]-2-oxoethoxy]-3-nitrobenzoic acid methyl ester IUPAC Name: methyl 4-[2-[(2,4-dimethylphenyl)methyl-methylamino]-2-oxoethoxy]-3-nitrobenzoate Traditional Name: 4-[2-[(2,4-dimethylbenzyl)-methyl-amino]-2-keto-ethoxy]-3-nitro-benzoic acid methyl 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)COC2=C(C=C(C=C2)C(=O)OC)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=C(C=C1)CN(C)C(=O)COC2=C(C=C(C=C2)C(=O)OC)[N+](=O)[O-])C

InChI

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