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

Systemtic Name: methyl 3-[[2-(4-ethoxyphenoxy)propanoylamino]carbamoyl]-5-nitro-benzoate Openeye Name: methyl 3-[[2-(4-ethoxyphenoxy)propanoylamino]carbamoyl]-5-nitro-benzoate CAS Name: 3-[[[2-(4-ethoxyphenoxy)-1-oxopropyl]hydrazo]-oxomethyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-[[2-(4-ethoxyphenoxy)propanoylamino]carbamoyl]-5-nitrobenzoate Traditional Name: 3-[[2-(4-ethoxyphenoxy)propanoylamino]carbamoyl]-5-nitro-benzoic acid methyl ester Formula: C20H21N3O8 MolecularWeight: 431.39604

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C20H21N3O8/c1-4-30-16-5-7-17(8-6-16)31-12(2)18(24)21-22-19(25)13-9-14(20(26)29-3)11-15(10-13)23(27)28/h5-12H,4H2,1-3H3,(H,21,24)(H,22,25)