8-[(2Z)-2-[1-azanyl-1,3-bis(oxidanylidene)butan-2-ylidene]hydrazinyl]quinoline-5-sulfonic acid

Systemtic Name: 8-[(2Z)-2-[1-azanyl-1,3-bis(oxidanylidene)butan-2-ylidene]hydrazinyl]quinoline-5-sulfonic acid Openeye Name: 8-[(2Z)-2-(1-carbamoyl-2-oxo-propylidene)hydrazino]quinoline-5-sulfonic acid CAS Name: 8-[(2Z)-2-(1-amino-1,3-dioxobutan-2-ylidene)hydrazinyl]-5-quinolinesulfonic acid IUPAC Name: 8-[(2Z)-2-(1-amino-1,3-dioxobutan-2-ylidene)hydrazinyl]quinoline-5-sulfonic acid Traditional Name: 8-[(N'Z)-N'-(1-carbamoyl-2-keto-propylidene)hydrazino]quinoline-5-sulfonic acid Formula: C13H12N4O5S MolecularWeight: 336.32318

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(=NNC1=C2C(=C(C=C1)S(=O)(=O)O)C=CC=N2)C(=O)N

Isomeric SMILES

CC(=O)/C(=N/NC1=C2C(=C(C=C1)S(=O)(=O)O)C=CC=N2)/C(=O)N

InChI

InChI=1S/C13H12N4O5S/c1-7(18)11(13(14)19)17-16-9-4-5-10(23(20,21)22)8-3-2-6-15-12(8)9/h2-6,16H,1H3,(H2,14,19)(H,20,21,22)/b17-11-