3-[ethyl-(5-oxidanylidenebenzo[a]phenoxazin-9-yl)amino]propanoic acid

Systemtic Name: 3-[ethyl-(5-oxidanylidenebenzo[a]phenoxazin-9-yl)amino]propanoic acid Openeye Name: 3-[ethyl-(5-oxobenzo[a]phenoxazin-9-yl)amino]propanoic acid CAS Name: 3-[ethyl-(5-oxo-9-benzo[a]phenoxazinyl)amino]propanoic acid IUPAC Name: 3-[ethyl-(5-oxobenzo[a]phenoxazin-9-yl)amino]propanoic acid Traditional Name: 3-[ethyl-(5-ketobenzo[a]phenoxazin-9-yl)amino]propionic acid Formula: C21H18N2O4 MolecularWeight: 362.37862

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CCC(=O)O)C1=CC2=C(C=C1)N=C3C4=CC=CC=C4C(=O)C=C3O2

Isomeric SMILES

CCN(CCC(=O)O)C1=CC2=C(C=C1)N=C3C4=CC=CC=C4C(=O)C=C3O2

InChI

InChI=1S/C21H18N2O4/c1-2-23(10-9-20(25)26)13-7-8-16-18(11-13)27-19-12-17(24)14-5-3-4-6-15(14)21(19)22-16/h3-8,11-12H,2,9-10H2,1H3,(H,25,26)