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

Systemtic Name: 6-chloranyl-2-[[4-[(4-methoxyphenyl)methoxy]phenyl]amino]-3-nitro-benzoic acid Openeye Name: 6-chloro-2-[4-[(4-methoxyphenyl)methoxy]anilino]-3-nitro-benzoic acid CAS Name: 6-chloro-2-[4-[(4-methoxyphenyl)methoxy]anilino]-3-nitrobenzoic acid IUPAC Name: 6-chloro-2-[4-[(4-methoxyphenyl)methoxy]anilino]-3-nitrobenzoic acid Traditional Name: 6-chloro-3-nitro-2-(4-p-anisyloxyanilino)benzoic acid Formula: C21H17ClN2O6 MolecularWeight: 428.82248

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)COC2=CC=C(C=C2)NC3=C(C=CC(=C3C(=O)O)Cl)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)COC2=CC=C(C=C2)NC3=C(C=CC(=C3C(=O)O)Cl)[N+](=O)[O-]

InChI

InChI=1S/C21H17ClN2O6/c1-29-15-6-2-13(3-7-15)12-30-16-8-4-14(5-9-16)23-20-18(24(27)28)11-10-17(22)19(20)21(25)26/h2-11,23H,12H2,1H3,(H,25,26)