4-[(3-chloranyl-4,5-dimethoxy-phenyl)amino]-3-nitro-benzoic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)NC2=C(C=C(C=C2)C(=O)O)[N+](=O)[O-])Cl)OC

Isomeric SMILES

COC1=C(C(=CC(=C1)NC2=C(C=C(C=C2)C(=O)O)[N+](=O)[O-])Cl)OC

InChI

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