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

Systemtic Name: ethyl 3-[(4-ethoxy-3-methoxy-phenyl)methylcarbamoyl]-5-nitro-benzoate Openeye Name: ethyl 3-[(4-ethoxy-3-methoxy-phenyl)methylcarbamoyl]-5-nitro-benzoate CAS Name: 3-[[(4-ethoxy-3-methoxyphenyl)methylamino]-oxomethyl]-5-nitrobenzoic acid ethyl ester IUPAC Name: ethyl 3-[(4-ethoxy-3-methoxyphenyl)methylcarbamoyl]-5-nitrobenzoate Traditional Name: 3-[(4-ethoxy-3-methoxy-benzyl)carbamoyl]-5-nitro-benzoic acid ethyl ester Formula: C20H22N2O7 MolecularWeight: 402.39788

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N2O7/c1-4-28-17-7-6-13(8-18(17)27-3)12-21-19(23)14-9-15(20(24)29-5-2)11-16(10-14)22(25)26/h6-11H,4-5,12H2,1-3H3,(H,21,23)