2-azanyl-2-[3-[3-(1-azanyl-2-oxidanyl-2-oxidanylidene-ethyl)-4-chloranyl-5-oxidanyl-phenoxy]-4-oxidanyl-phenyl]ethanoic acid

Systemtic Name: 2-azanyl-2-[3-[3-(1-azanyl-2-oxidanyl-2-oxidanylidene-ethyl)-4-chloranyl-5-oxidanyl-phenoxy]-4-oxidanyl-phenyl]ethanoic acid Openeye Name: 2-amino-2-[3-[3-(1-amino-2-hydroxy-2-oxo-ethyl)-4-chloro-5-hydroxy-phenoxy]-4-hydroxy-phenyl]acetic acid CAS Name: 2-amino-2-[3-[3-(1-amino-2-hydroxy-2-oxoethyl)-4-chloro-5-hydroxyphenoxy]-4-hydroxyphenyl]acetic acid IUPAC Name: 2-amino-2-[3-[3-(1-amino-2-hydroxy-2-oxoethyl)-4-chloro-5-hydroxyphenoxy]-4-hydroxyphenyl]acetic acid Traditional Name: 2-amino-2-[3-[3-(1-amino-2-hydroxy-2-keto-ethyl)-4-chloro-5-hydroxy-phenoxy]-4-hydroxy-phenyl]acetic acid Formula: C16H15ClN2O7 MolecularWeight: 382.7525

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(C(=O)O)N)OC2=CC(=C(C(=C2)C(C(=O)O)N)Cl)O)O

Isomeric SMILES

C1=CC(=C(C=C1C(C(=O)O)N)OC2=CC(=C(C(=C2)C(C(=O)O)N)Cl)O)O

InChI

InChI=1S/C16H15ClN2O7/c17-12-8(14(19)16(24)25)4-7(5-10(12)21)26-11-3-6(1-2-9(11)20)13(18)15(22)23/h1-5,13-14,20-21H,18-19H2,(H,22,23)(H,24,25)