1-[2-(7-azido-4-methyl-2-oxidanylidene-chromen-3-yl)ethanoyl]-2,5-bis(oxidanylidene)pyrrolidine-3-sulfonic acid

Systemtic Name: 1-[2-(7-azido-4-methyl-2-oxidanylidene-chromen-3-yl)ethanoyl]-2,5-bis(oxidanylidene)pyrrolidine-3-sulfonic acid Openeye Name: 1-[2-(7-azido-4-methyl-2-oxo-chromen-3-yl)acetyl]-2,5-dioxo-pyrrolidine-3-sulfonic acid CAS Name: 1-[2-(7-azido-4-methyl-2-oxo-1-benzopyran-3-yl)-1-oxoethyl]-2,5-dioxo-3-pyrrolidinesulfonic acid IUPAC Name: 1-[2-(7-azido-4-methyl-2-oxochromen-3-yl)acetyl]-2,5-dioxopyrrolidine-3-sulfonic acid Traditional Name: 1-[2-(7-azido-2-keto-4-methyl-chromen-3-yl)acetyl]-2,5-diketo-pyrrolidine-3-sulfonic acid Formula: C16H12N4O8S MolecularWeight: 420.35348

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C1C=CC(=C2)N=[N+]=[N-])CC(=O)N3C(=O)CC(C3=O)S(=O)(=O)O

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=CC(=C2)N=[N+]=[N-])CC(=O)N3C(=O)CC(C3=O)S(=O)(=O)O

InChI

InChI=1S/C16H12N4O8S/c1-7-9-3-2-8(18-19-17)4-11(9)28-16(24)10(7)5-13(21)20-14(22)6-12(15(20)23)29(25,26)27/h2-4,12H,5-6H2,1H3,(H,25,26,27)