ethyl 2-[butyl-[2-(4-oxidanylphenoxy)ethanoyl]amino]-4-nitro-benzoate

Systemtic Name: ethyl 2-[butyl-[2-(4-oxidanylphenoxy)ethanoyl]amino]-4-nitro-benzoate Openeye Name: ethyl 2-[butyl-[2-(4-hydroxyphenoxy)acetyl]amino]-4-nitro-benzoate CAS Name: 2-[butyl-[2-(4-hydroxyphenoxy)-1-oxoethyl]amino]-4-nitrobenzoic acid ethyl ester IUPAC Name: ethyl 2-[butyl-[2-(4-hydroxyphenoxy)acetyl]amino]-4-nitrobenzoate Traditional Name: 2-[butyl-[2-(4-hydroxyphenoxy)acetyl]amino]-4-nitro-benzoic acid ethyl ester Formula: C21H24N2O7 MolecularWeight: 416.42446

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C1=C(C=CC(=C1)[N+](=O)[O-])C(=O)OCC)C(=O)COC2=CC=C(C=C2)O

Isomeric SMILES

CCCCN(C1=C(C=CC(=C1)[N+](=O)[O-])C(=O)OCC)C(=O)COC2=CC=C(C=C2)O

InChI

InChI=1S/C21H24N2O7/c1-3-5-12-22(20(25)14-30-17-9-7-16(24)8-10-17)19-13-15(23(27)28)6-11-18(19)21(26)29-4-2/h6-11,13,24H,3-5,12,14H2,1-2H3