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

Systemtic Name: methyl 2-[4-[4-(butylcarbamoyl)-2-nitro-phenoxy]-3-methoxy-phenyl]-2-diphenoxyphosphoryloxy-ethanoate Openeye Name: methyl 2-[4-[4-(butylcarbamoyl)-2-nitro-phenoxy]-3-methoxy-phenyl]-2-diphenoxyphosphoryloxy-acetate CAS Name: 2-[4-[4-[butylamino(oxo)methyl]-2-nitrophenoxy]-3-methoxyphenyl]-2-diphenoxyphosphoryloxyacetic acid methyl ester IUPAC Name: methyl 2-[4-[4-(butylcarbamoyl)-2-nitrophenoxy]-3-methoxyphenyl]-2-diphenoxyphosphoryloxyacetate Traditional Name: 2-[4-[4-(butylcarbamoyl)-2-nitro-phenoxy]-3-methoxy-phenyl]-2-diphenoxyphosphoryloxy-acetic acid methyl ester Formula: C33H33N2O11P MolecularWeight: 664.595681

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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)OP(=O)(OC3=CC=CC=C3)OC4=CC=CC=C4)OC)[N+](=O)[O-]

Isomeric SMILES

CCCCNC(=O)C1=CC(=C(C=C1)OC2=C(C=C(C=C2)C(C(=O)OC)OP(=O)(OC3=CC=CC=C3)OC4=CC=CC=C4)OC)[N+](=O)[O-]

InChI

InChI=1S/C33H33N2O11P/c1-4-5-20-34-32(36)24-17-18-28(27(21-24)35(38)39)43-29-19-16-23(22-30(29)41-2)31(33(37)42-3)46-47(40,44-25-12-8-6-9-13-25)45-26-14-10-7-11-15-26/h6-19,21-22,31H,4-5,20H2,1-3H3,(H,34,36)