4-chloranyl-2-[(3,4-dimethoxyphenyl)amino]-5-nitro-benzoic acid

Systemtic Name: 4-chloranyl-2-[(3,4-dimethoxyphenyl)amino]-5-nitro-benzoic acid Openeye Name: 4-chloro-2-(3,4-dimethoxyanilino)-5-nitro-benzoic acid CAS Name: 4-chloro-2-(3,4-dimethoxyanilino)-5-nitrobenzoic acid IUPAC Name: 4-chloro-2-(3,4-dimethoxyanilino)-5-nitrobenzoic acid Traditional Name: 4-chloro-2-(3,4-dimethoxyanilino)-5-nitro-benzoic acid Formula: C15H13ClN2O6 MolecularWeight: 352.72652

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC2=CC(=C(C=C2C(=O)O)[N+](=O)[O-])Cl)OC

Isomeric SMILES

COC1=C(C=C(C=C1)NC2=CC(=C(C=C2C(=O)O)[N+](=O)[O-])Cl)OC

InChI

InChI=1S/C15H13ClN2O6/c1-23-13-4-3-8(5-14(13)24-2)17-11-7-10(16)12(18(21)22)6-9(11)15(19)20/h3-7,17H,1-2H3,(H,19,20)