(5-ethanoyl-2-methoxy-phenyl)methyl 4-(2-methoxyethylamino)-3-nitro-benzoate

Systemtic Name: (5-ethanoyl-2-methoxy-phenyl)methyl 4-(2-methoxyethylamino)-3-nitro-benzoate Openeye Name: (5-acetyl-2-methoxy-phenyl)methyl 4-(2-methoxyethylamino)-3-nitro-benzoate CAS Name: 4-(2-methoxyethylamino)-3-nitrobenzoic acid (5-acetyl-2-methoxyphenyl)methyl ester IUPAC Name: (5-acetyl-2-methoxyphenyl)methyl 4-(2-methoxyethylamino)-3-nitrobenzoate Traditional Name: 4-(2-methoxyethylamino)-3-nitro-benzoic acid (5-acetyl-2-methoxy-benzyl) ester Formula: C20H22N2O7 MolecularWeight: 402.39788

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)OC)COC(=O)C2=CC(=C(C=C2)NCCOC)[N+](=O)[O-]

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)OC)COC(=O)C2=CC(=C(C=C2)NCCOC)[N+](=O)[O-]

InChI

InChI=1S/C20H22N2O7/c1-13(23)14-5-7-19(28-3)16(10-14)12-29-20(24)15-4-6-17(21-8-9-27-2)18(11-15)22(25)26/h4-7,10-11,21H,8-9,12H2,1-3H3