methyl 4-[2-[4-(2-acetamidoethyl)phenyl]-2-oxidanylidene-ethoxy]-3-nitro-benzoate

Systemtic Name: methyl 4-[2-[4-(2-acetamidoethyl)phenyl]-2-oxidanylidene-ethoxy]-3-nitro-benzoate Openeye Name: methyl 4-[2-[4-(2-acetamidoethyl)phenyl]-2-oxo-ethoxy]-3-nitro-benzoate CAS Name: 4-[2-[4-(2-acetamidoethyl)phenyl]-2-oxoethoxy]-3-nitrobenzoic acid methyl ester IUPAC Name: methyl 4-[2-[4-(2-acetamidoethyl)phenyl]-2-oxoethoxy]-3-nitrobenzoate Traditional Name: 4-[2-[4-(2-acetamidoethyl)phenyl]-2-keto-ethoxy]-3-nitro-benzoic acid methyl ester Formula: C20H20N2O7 MolecularWeight: 400.382

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCC1=CC=C(C=C1)C(=O)COC2=C(C=C(C=C2)C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CC(=O)NCCC1=CC=C(C=C1)C(=O)COC2=C(C=C(C=C2)C(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C20H20N2O7/c1-13(23)21-10-9-14-3-5-15(6-4-14)18(24)12-29-19-8-7-16(20(25)28-2)11-17(19)22(26)27/h3-8,11H,9-10,12H2,1-2H3,(H,21,23)