3-[methyl-[5-(3-sulfopropylimino)benzo[a]phenoxazin-9-yl]amino]propanoic acid

Systemtic Name: 3-[methyl-[5-(3-sulfopropylimino)benzo[a]phenoxazin-9-yl]amino]propanoic acid Openeye Name: 3-[methyl-[5-(3-sulfopropylimino)benzo[a]phenoxazin-9-yl]amino]propanoic acid CAS Name: 3-[methyl-[5-(3-sulfopropylimino)-9-benzo[a]phenoxazinyl]amino]propanoic acid IUPAC Name: 3-[methyl-[5-(3-sulfopropylimino)benzo[a]phenoxazin-9-yl]amino]propanoic acid Traditional Name: 3-[methyl-[5-(3-sulfopropylimino)benzo[a]phenoxazin-9-yl]amino]propionic acid Formula: C23H23N3O6S MolecularWeight: 469.51022

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H23N3O6S/c1-26(11-9-22(27)28)15-7-8-18-20(13-15)32-21-14-19(24-10-4-12-33(29,30)31)16-5-2-3-6-17(16)23(21)25-18/h2-3,5-8,13-14H,4,9-12H2,1H3,(H,27,28)(H,29,30,31)