3-[2-carboxyethyl-(5-oxidanyl-2-oxidanylidene-benzo[a]phenoxazin-9-yl)amino]propanoic acid

Systemtic Name: 3-[2-carboxyethyl-(5-oxidanyl-2-oxidanylidene-benzo[a]phenoxazin-9-yl)amino]propanoic acid Openeye Name: 3-[2-carboxyethyl-(5-hydroxy-2-oxo-benzo[a]phenoxazin-9-yl)amino]propanoic acid CAS Name: 3-[2-carboxyethyl-(5-hydroxy-2-oxo-9-benzo[a]phenoxazinyl)amino]propanoic acid IUPAC Name: 3-[2-carboxyethyl-(5-hydroxy-2-oxobenzo[a]phenoxazin-9-yl)amino]propanoic acid Traditional Name: 3-[2-carboxyethyl-(5-hydroxy-2-keto-benzo[a]phenoxazin-9-yl)amino]propionic acid Formula: C22H18N2O7 MolecularWeight: 422.38752

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1N(CCC(=O)O)CCC(=O)O)OC3=CC(=C4C=CC(=O)C=C4C3=N2)O

Isomeric SMILES

C1=CC2=C(C=C1N(CCC(=O)O)CCC(=O)O)OC3=CC(=C4C=CC(=O)C=C4C3=N2)O

InChI

InChI=1S/C22H18N2O7/c25-13-2-3-14-15(10-13)22-19(11-17(14)26)31-18-9-12(1-4-16(18)23-22)24(7-5-20(27)28)8-6-21(29)30/h1-4,9-11,26H,5-8H2,(H,27,28)(H,29,30)