2-chloranyl-3,5-dinitro-6-[(4-phenylmethoxyphenyl)amino]benzoic acid

Systemtic Name: 2-chloranyl-3,5-dinitro-6-[(4-phenylmethoxyphenyl)amino]benzoic acid Openeye Name: 2-(4-benzyloxyanilino)-6-chloro-3,5-dinitro-benzoic acid CAS Name: 2-chloro-3,5-dinitro-6-(4-phenylmethoxyanilino)benzoic acid IUPAC Name: 2-chloro-3,5-dinitro-6-(4-phenylmethoxyanilino)benzoic acid Traditional Name: 2-(4-benzoxyanilino)-6-chloro-3,5-dinitro-benzoic acid Formula: C20H14ClN3O7 MolecularWeight: 443.79406

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=CC=C(C=C2)NC3=C(C(=C(C=C3[N+](=O)[O-])[N+](=O)[O-])Cl)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)COC2=CC=C(C=C2)NC3=C(C(=C(C=C3[N+](=O)[O-])[N+](=O)[O-])Cl)C(=O)O

InChI

InChI=1S/C20H14ClN3O7/c21-18-15(23(27)28)10-16(24(29)30)19(17(18)20(25)26)22-13-6-8-14(9-7-13)31-11-12-4-2-1-3-5-12/h1-10,22H,11H2,(H,25,26)