[2-[(5-methoxy-2-methyl-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2-(6-oxidanyl-1-benzofuran-3-yl)ethanoate

Systemtic Name: [2-[(5-methoxy-2-methyl-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2-(6-oxidanyl-1-benzofuran-3-yl)ethanoate Openeye Name: [2-(5-methoxy-2-methyl-4-nitro-anilino)-2-oxo-ethyl] 2-(6-hydroxybenzofuran-3-yl)acetate CAS Name: 2-(6-hydroxy-3-benzofuranyl)acetic acid [2-(5-methoxy-2-methyl-4-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(5-methoxy-2-methyl-4-nitroanilino)-2-oxoethyl] 2-(6-hydroxy-1-benzofuran-3-yl)acetate Traditional Name: 2-(6-hydroxybenzofuran-3-yl)acetic acid [2-keto-2-(5-methoxy-2-methyl-4-nitro-anilino)ethyl] ester Formula: C20H18N2O8 MolecularWeight: 414.36552

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1NC(=O)COC(=O)CC2=COC3=C2C=CC(=C3)O)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1NC(=O)COC(=O)CC2=COC3=C2C=CC(=C3)O)OC)[N+](=O)[O-]

InChI

InChI=1S/C20H18N2O8/c1-11-5-16(22(26)27)18(28-2)8-15(11)21-19(24)10-30-20(25)6-12-9-29-17-7-13(23)3-4-14(12)17/h3-5,7-9,23H,6,10H2,1-2H3,(H,21,24)