3-[[2-[2-(5-bromanyl-1-methyl-2-oxidanylidene-indol-3-ylidene)hydrazinyl]-2-oxidanylidene-ethanoyl]amino]benzoic acid

Systemtic Name: 3-[[2-[2-(5-bromanyl-1-methyl-2-oxidanylidene-indol-3-ylidene)hydrazinyl]-2-oxidanylidene-ethanoyl]amino]benzoic acid Openeye Name: 3-[[2-[2-(5-bromo-1-methyl-2-oxo-indolin-3-ylidene)hydrazino]-2-oxo-acetyl]amino]benzoic acid CAS Name: 3-[[2-[2-(5-bromo-1-methyl-2-oxo-3-indolylidene)hydrazinyl]-1,2-dioxoethyl]amino]benzoic acid IUPAC Name: 3-[[2-[2-(5-bromo-1-methyl-2-oxoindol-3-ylidene)hydrazinyl]-2-oxoacetyl]amino]benzoic acid Traditional Name: 3-[[2-[N'-(5-bromo-2-keto-1-methyl-indolin-3-ylidene)hydrazino]-2-keto-acetyl]amino]benzoic acid Formula: C18H13BrN4O5 MolecularWeight: 445.22362

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)Br)C(=NNC(=O)C(=O)NC3=CC=CC(=C3)C(=O)O)C1=O

Isomeric SMILES

CN1C2=C(C=C(C=C2)Br)C(=NNC(=O)C(=O)NC3=CC=CC(=C3)C(=O)O)C1=O

InChI

InChI=1S/C18H13BrN4O5/c1-23-13-6-5-10(19)8-12(13)14(17(23)26)21-22-16(25)15(24)20-11-4-2-3-9(7-11)18(27)28/h2-8H,1H3,(H,20,24)(H,22,25)(H,27,28)