ethyl 3-[(4-ethoxyphenyl)methyl-methyl-carbamoyl]-5-nitro-benzoate

Systemtic Name: ethyl 3-[(4-ethoxyphenyl)methyl-methyl-carbamoyl]-5-nitro-benzoate Openeye Name: ethyl 3-[(4-ethoxyphenyl)methyl-methyl-carbamoyl]-5-nitro-benzoate CAS Name: 3-[[(4-ethoxyphenyl)methyl-methylamino]-oxomethyl]-5-nitrobenzoic acid ethyl ester IUPAC Name: ethyl 3-[(4-ethoxyphenyl)methyl-methylcarbamoyl]-5-nitrobenzoate Traditional Name: 3-[(4-ethoxybenzyl)-methyl-carbamoyl]-5-nitro-benzoic acid ethyl ester Formula: C20H22N2O6 MolecularWeight: 386.39848

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N2O6/c1-4-27-18-8-6-14(7-9-18)13-21(3)19(23)15-10-16(20(24)28-5-2)12-17(11-15)22(25)26/h6-12H,4-5,13H2,1-3H3