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

Systemtic Name: 2-chloranyl-6-[[4-[(2-methoxyphenyl)methoxy]phenyl]amino]-3,5-dinitro-benzoic acid Openeye Name: 2-chloro-6-[4-[(2-methoxyphenyl)methoxy]anilino]-3,5-dinitro-benzoic acid CAS Name: 2-chloro-6-[4-[(2-methoxyphenyl)methoxy]anilino]-3,5-dinitrobenzoic acid IUPAC Name: 2-chloro-6-[4-[(2-methoxyphenyl)methoxy]anilino]-3,5-dinitrobenzoic acid Traditional Name: 2-chloro-3,5-dinitro-6-(4-o-anisyloxyanilino)benzoic acid Formula: C21H16ClN3O8 MolecularWeight: 473.82004

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1COC2=CC=C(C=C2)NC3=C(C(=C(C=C3[N+](=O)[O-])[N+](=O)[O-])Cl)C(=O)O

Isomeric SMILES

COC1=CC=CC=C1COC2=CC=C(C=C2)NC3=C(C(=C(C=C3[N+](=O)[O-])[N+](=O)[O-])Cl)C(=O)O

InChI

InChI=1S/C21H16ClN3O8/c1-32-17-5-3-2-4-12(17)11-33-14-8-6-13(7-9-14)23-20-16(25(30)31)10-15(24(28)29)19(22)18(20)21(26)27/h2-10,23H,11H2,1H3,(H,26,27)