ethyl 3-[(3-methoxy-4-prop-2-enoxy-phenyl)methyl-(oxolan-2-ylmethyl)carbamoyl]-5-nitro-benzoate

Systemtic Name: ethyl 3-[(3-methoxy-4-prop-2-enoxy-phenyl)methyl-(oxolan-2-ylmethyl)carbamoyl]-5-nitro-benzoate Openeye Name: ethyl 3-[(4-allyloxy-3-methoxy-phenyl)methyl-(tetrahydrofuran-2-ylmethyl)carbamoyl]-5-nitro-benzoate CAS Name: 3-[[(3-methoxy-4-prop-2-enoxyphenyl)methyl-(2-oxolanylmethyl)amino]-oxomethyl]-5-nitrobenzoic acid ethyl ester IUPAC Name: ethyl 3-[(3-methoxy-4-prop-2-enoxyphenyl)methyl-(oxolan-2-ylmethyl)carbamoyl]-5-nitrobenzoate Traditional Name: 3-[(4-allyloxy-3-methoxy-benzyl)-(tetrahydrofurfuryl)carbamoyl]-5-nitro-benzoic acid ethyl ester Formula: C26H30N2O8 MolecularWeight: 498.525

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1)C(=O)N(CC2CCCO2)CC3=CC(=C(C=C3)OCC=C)OC)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)C(=O)N(CC2CCCO2)CC3=CC(=C(C=C3)OCC=C)OC)[N+](=O)[O-]

InChI

InChI=1S/C26H30N2O8/c1-4-10-36-23-9-8-18(12-24(23)33-3)16-27(17-22-7-6-11-35-22)25(29)19-13-20(26(30)34-5-2)15-21(14-19)28(31)32/h4,8-9,12-15,22H,1,5-7,10-11,16-17H2,2-3H3