5-[(3-methoxy-1-oxidanyl-1-oxidanylidene-propan-2-yl)amino]-4-oxidanylidene-pyrrolo[2,3-f]quinoline-2,7,9-tricarboxylic acid

Systemtic Name: 5-[(3-methoxy-1-oxidanyl-1-oxidanylidene-propan-2-yl)amino]-4-oxidanylidene-pyrrolo[2,3-f]quinoline-2,7,9-tricarboxylic acid Openeye Name: 5-[[2-hydroxy-1-(methoxymethyl)-2-oxo-ethyl]amino]-4-oxo-pyrrolo[2,3-f]quinoline-2,7,9-tricarboxylic acid CAS Name: 5-[(1-hydroxy-3-methoxy-1-oxopropan-2-yl)amino]-4-oxopyrrolo[2,3-f]quinoline-2,7,9-tricarboxylic acid IUPAC Name: 5-[(1-hydroxy-3-methoxy-1-oxopropan-2-yl)amino]-4-oxopyrrolo[2,3-f]quinoline-2,7,9-tricarboxylic acid Traditional Name: 5-[[2-hydroxy-2-keto-1-(methoxymethyl)ethyl]amino]-4-keto-pyrrolo[2,3-f]quinoline-2,7,9-tricarboxylic acid Formula: C18H13N3O10 MolecularWeight: 431.30992

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Descriptors Computed from Structure

Canonical SMILES:

COCC(C(=O)O)NC1=C2C(=C3C(=CC(=N3)C(=O)O)C1=O)C(=CC(=N2)C(=O)O)C(=O)O

Isomeric SMILES

COCC(C(=O)O)NC1=C2C(=C3C(=CC(=N3)C(=O)O)C1=O)C(=CC(=N2)C(=O)O)C(=O)O

InChI

InChI=1S/C18H13N3O10/c1-31-4-9(18(29)30)21-13-12-10(5(15(23)24)2-7(20-12)16(25)26)11-6(14(13)22)3-8(19-11)17(27)28/h2-3,9,21H,4H2,1H3,(H,23,24)(H,25,26)(H,27,28)(H,29,30)