4-[[4-(carboxymethyloxy)-3-iodanyl-5-methoxy-phenyl]methylideneamino]-3-methyl-benzoic acid

Systemtic Name: 4-[[4-(carboxymethyloxy)-3-iodanyl-5-methoxy-phenyl]methylideneamino]-3-methyl-benzoic acid Openeye Name: 4-[[4-(carboxymethyloxy)-3-iodo-5-methoxy-phenyl]methyleneamino]-3-methyl-benzoic acid CAS Name: 4-[[4-(carboxymethyloxy)-3-iodo-5-methoxyphenyl]methylideneamino]-3-methylbenzoic acid IUPAC Name: 4-[[4-(carboxymethyloxy)-3-iodo-5-methoxyphenyl]methylideneamino]-3-methylbenzoic acid Traditional Name: 4-[[4-(carboxymethyloxy)-3-iodo-5-methoxy-benzylidene]amino]-3-methyl-benzoic acid Formula: C18H16INO6 MolecularWeight: 469.22721

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)O)N=CC2=CC(=C(C(=C2)I)OCC(=O)O)OC

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)O)N=CC2=CC(=C(C(=C2)I)OCC(=O)O)OC

InChI

InChI=1S/C18H16INO6/c1-10-5-12(18(23)24)3-4-14(10)20-8-11-6-13(19)17(15(7-11)25-2)26-9-16(21)22/h3-8H,9H2,1-2H3,(H,21,22)(H,23,24)