2-[[8-azanyl-9-(carboxymethylcarbamoyl)-7-oxidanylidene-phenoxazin-1-yl]carbonylamino]ethanoic acid

Systemtic Name: 2-[[8-azanyl-9-(carboxymethylcarbamoyl)-7-oxidanylidene-phenoxazin-1-yl]carbonylamino]ethanoic acid Openeye Name: 2-[[8-amino-9-(carboxymethylcarbamoyl)-7-oxo-phenoxazine-1-carbonyl]amino]acetic acid CAS Name: 2-[[[8-amino-9-[(carboxymethylamino)-oxomethyl]-7-oxo-1-phenoxazinyl]-oxomethyl]amino]acetic acid IUPAC Name: 2-[[8-amino-9-(carboxymethylcarbamoyl)-7-oxophenoxazine-1-carbonyl]amino]acetic acid Traditional Name: 2-[[8-amino-9-(carboxymethylcarbamoyl)-7-keto-phenoxazine-1-carbonyl]amino]acetic acid Formula: C18H14N4O8 MolecularWeight: 414.32576

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C2C(=C1)OC3=CC(=O)C(=C(C3=N2)C(=O)NCC(=O)O)N)C(=O)NCC(=O)O

Isomeric SMILES

C1=CC(=C2C(=C1)OC3=CC(=O)C(=C(C3=N2)C(=O)NCC(=O)O)N)C(=O)NCC(=O)O

InChI

InChI=1S/C18H14N4O8/c19-14-8(23)4-10-16(13(14)18(29)21-6-12(26)27)22-15-7(2-1-3-9(15)30-10)17(28)20-5-11(24)25/h1-4H,5-6,19H2,(H,20,28)(H,21,29)(H,24,25)(H,26,27)