ethyl 3-[[2-(4-ethoxyphenoxy)propanoylamino]carbamoyl]-5-nitro-benzoate

Systemtic Name: ethyl 3-[[2-(4-ethoxyphenoxy)propanoylamino]carbamoyl]-5-nitro-benzoate Openeye Name: ethyl 3-[[2-(4-ethoxyphenoxy)propanoylamino]carbamoyl]-5-nitro-benzoate CAS Name: 3-[[[2-(4-ethoxyphenoxy)-1-oxopropyl]hydrazo]-oxomethyl]-5-nitrobenzoic acid ethyl ester IUPAC Name: ethyl 3-[[2-(4-ethoxyphenoxy)propanoylamino]carbamoyl]-5-nitrobenzoate Traditional Name: 3-[[2-(4-ethoxyphenoxy)propanoylamino]carbamoyl]-5-nitro-benzoic acid ethyl ester Formula: C21H23N3O8 MolecularWeight: 445.42262

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O8/c1-4-30-17-6-8-18(9-7-17)32-13(3)19(25)22-23-20(26)14-10-15(21(27)31-5-2)12-16(11-14)24(28)29/h6-13H,4-5H2,1-3H3,(H,22,25)(H,23,26)