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

Systemtic Name: 6-chloranyl-2-[(3,4-dimethoxyphenyl)amino]-3-nitro-benzoic acid Openeye Name: 6-chloro-2-(3,4-dimethoxyanilino)-3-nitro-benzoic acid CAS Name: 6-chloro-2-(3,4-dimethoxyanilino)-3-nitrobenzoic acid IUPAC Name: 6-chloro-2-(3,4-dimethoxyanilino)-3-nitrobenzoic acid Traditional Name: 6-chloro-2-(3,4-dimethoxyanilino)-3-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=C(C=CC(=C2C(=O)O)Cl)[N+](=O)[O-])OC

Isomeric SMILES

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

InChI

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