ethyl 3-[(4-ethoxy-3-methoxy-phenyl)methyl-ethyl-carbamoyl]-5-nitro-benzoate

Systemtic Name: ethyl 3-[(4-ethoxy-3-methoxy-phenyl)methyl-ethyl-carbamoyl]-5-nitro-benzoate Openeye Name: ethyl 3-[(4-ethoxy-3-methoxy-phenyl)methyl-ethyl-carbamoyl]-5-nitro-benzoate CAS Name: 3-[[(4-ethoxy-3-methoxyphenyl)methyl-ethylamino]-oxomethyl]-5-nitrobenzoic acid ethyl ester IUPAC Name: ethyl 3-[(4-ethoxy-3-methoxyphenyl)methyl-ethylcarbamoyl]-5-nitrobenzoate Traditional Name: 3-[(4-ethoxy-3-methoxy-benzyl)-ethyl-carbamoyl]-5-nitro-benzoic acid ethyl ester Formula: C22H26N2O7 MolecularWeight: 430.45104

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC(=C(C=C1)OCC)OC)C(=O)C2=CC(=CC(=C2)[N+](=O)[O-])C(=O)OCC

Isomeric SMILES

CCN(CC1=CC(=C(C=C1)OCC)OC)C(=O)C2=CC(=CC(=C2)[N+](=O)[O-])C(=O)OCC

InChI

InChI=1S/C22H26N2O7/c1-5-23(14-15-8-9-19(30-6-2)20(10-15)29-4)21(25)16-11-17(22(26)31-7-3)13-18(12-16)24(27)28/h8-13H,5-7,14H2,1-4H3