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

Systemtic Name: 5-[(3-methoxy-1-oxidanyl-1-oxidanylidene-propan-2-yl)amino]-5-oxidanyl-4-oxidanylidene-1H-pyrrolo[2,3-f]quinoline-2,7,9-tricarboxylic acid Openeye Name: 5-hydroxy-5-[[2-hydroxy-1-(methoxymethyl)-2-oxo-ethyl]amino]-4-oxo-1H-pyrrolo[2,3-f]quinoline-2,7,9-tricarboxylic acid CAS Name: 5-hydroxy-5-[(1-hydroxy-3-methoxy-1-oxopropan-2-yl)amino]-4-oxo-1H-pyrrolo[2,3-f]quinoline-2,7,9-tricarboxylic acid IUPAC Name: 5-hydroxy-5-[(1-hydroxy-3-methoxy-1-oxopropan-2-yl)amino]-4-oxo-1H-pyrrolo[2,3-f]quinoline-2,7,9-tricarboxylic acid Traditional Name: 5-hydroxy-5-[[2-hydroxy-2-keto-1-(methoxymethyl)ethyl]amino]-4-keto-1H-pyrrolo[2,3-f]quinoline-2,7,9-tricarboxylic acid Formula: C18H15N3O11 MolecularWeight: 449.3252

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Descriptors Computed from Structure

Canonical SMILES:

COCC(C(=O)O)NC1(C2=C(C(=CC(=N2)C(=O)O)C(=O)O)C3=C(C1=O)C=C(N3)C(=O)O)O

Isomeric SMILES

COCC(C(=O)O)NC1(C2=C(C(=CC(=N2)C(=O)O)C(=O)O)C3=C(C1=O)C=C(N3)C(=O)O)O

InChI

InChI=1S/C18H15N3O11/c1-32-4-9(17(29)30)21-18(31)12-10(5(14(23)24)2-8(20-12)16(27)28)11-6(13(18)22)3-7(19-11)15(25)26/h2-3,9,19,21,31H,4H2,1H3,(H,23,24)(H,25,26)(H,27,28)(H,29,30)