methyl 2-[4-[4-(butylcarbamoyl)-2-nitro-phenoxy]-3-methoxy-phenyl]-2-oxidanyl-ethanoate

Systemtic Name: methyl 2-[4-[4-(butylcarbamoyl)-2-nitro-phenoxy]-3-methoxy-phenyl]-2-oxidanyl-ethanoate Openeye Name: methyl 2-[4-[4-(butylcarbamoyl)-2-nitro-phenoxy]-3-methoxy-phenyl]-2-hydroxy-acetate CAS Name: 2-[4-[4-[butylamino(oxo)methyl]-2-nitrophenoxy]-3-methoxyphenyl]-2-hydroxyacetic acid methyl ester IUPAC Name: methyl 2-[4-[4-(butylcarbamoyl)-2-nitrophenoxy]-3-methoxyphenyl]-2-hydroxyacetate Traditional Name: 2-[4-[4-(butylcarbamoyl)-2-nitro-phenoxy]-3-methoxy-phenyl]-2-hydroxy-acetic acid methyl ester Formula: C21H24N2O8 MolecularWeight: 432.42386

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C1=CC(=C(C=C1)OC2=C(C=C(C=C2)C(C(=O)OC)O)OC)[N+](=O)[O-]

Isomeric SMILES

CCCCNC(=O)C1=CC(=C(C=C1)OC2=C(C=C(C=C2)C(C(=O)OC)O)OC)[N+](=O)[O-]

InChI

InChI=1S/C21H24N2O8/c1-4-5-10-22-20(25)14-7-8-16(15(11-14)23(27)28)31-17-9-6-13(12-18(17)29-2)19(24)21(26)30-3/h6-9,11-12,19,24H,4-5,10H2,1-3H3,(H,22,25)