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

Systemtic Name: methyl 4-[2-[(4-ethoxyphenyl)methyl-methyl-amino]-2-oxidanylidene-ethoxy]-3-nitro-benzoate Openeye Name: methyl 4-[2-[(4-ethoxyphenyl)methyl-methyl-amino]-2-oxo-ethoxy]-3-nitro-benzoate CAS Name: 4-[2-[(4-ethoxyphenyl)methyl-methylamino]-2-oxoethoxy]-3-nitrobenzoic acid methyl ester IUPAC Name: methyl 4-[2-[(4-ethoxyphenyl)methyl-methylamino]-2-oxoethoxy]-3-nitrobenzoate Traditional Name: 4-[2-[(4-ethoxybenzyl)-methyl-amino]-2-keto-ethoxy]-3-nitro-benzoic acid methyl ester Formula: C20H22N2O7 MolecularWeight: 402.39788

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)CN(C)C(=O)COC2=C(C=C(C=C2)C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC=C(C=C1)CN(C)C(=O)COC2=C(C=C(C=C2)C(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C20H22N2O7/c1-4-28-16-8-5-14(6-9-16)12-21(2)19(23)13-29-18-10-7-15(20(24)27-3)11-17(18)22(25)26/h5-11H,4,12-13H2,1-3H3