2-[2-(butylcarbamoyl)-6-nitro-phenyl]-4,5-dimethoxy-benzoic acid

Systemtic Name: 2-[2-(butylcarbamoyl)-6-nitro-phenyl]-4,5-dimethoxy-benzoic acid Openeye Name: 2-[2-(butylcarbamoyl)-6-nitro-phenyl]-4,5-dimethoxy-benzoic acid CAS Name: 2-[2-[butylamino(oxo)methyl]-6-nitrophenyl]-4,5-dimethoxybenzoic acid IUPAC Name: 2-[2-(butylcarbamoyl)-6-nitrophenyl]-4,5-dimethoxybenzoic acid Traditional Name: 2-[2-(butylcarbamoyl)-6-nitro-phenyl]-4,5-dimethoxy-benzoic acid Formula: C20H22N2O7 MolecularWeight: 402.39788

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C1=C(C(=CC=C1)[N+](=O)[O-])C2=CC(=C(C=C2C(=O)O)OC)OC

Isomeric SMILES

CCCCNC(=O)C1=C(C(=CC=C1)[N+](=O)[O-])C2=CC(=C(C=C2C(=O)O)OC)OC

InChI

InChI=1S/C20H22N2O7/c1-4-5-9-21-19(23)12-7-6-8-15(22(26)27)18(12)13-10-16(28-2)17(29-3)11-14(13)20(24)25/h6-8,10-11H,4-5,9H2,1-3H3,(H,21,23)(H,24,25)