2-[3-[[(5-nitro-1-benzothiophen-2-yl)carbonylhydrazinylidene]methyl]indol-1-yl]ethanoic acid

Systemtic Name: 2-[3-[[(5-nitro-1-benzothiophen-2-yl)carbonylhydrazinylidene]methyl]indol-1-yl]ethanoic acid Openeye Name: 2-[3-[[(5-nitrobenzothiophene-2-carbonyl)hydrazono]methyl]indol-1-yl]acetic acid CAS Name: 2-[3-[[[(5-nitro-1-benzothiophen-2-yl)-oxomethyl]hydrazinylidene]methyl]-1-indolyl]acetic acid IUPAC Name: 2-[3-[[(5-nitro-1-benzothiophene-2-carbonyl)hydrazinylidene]methyl]indol-1-yl]acetic acid Traditional Name: 2-[3-[[(5-nitrobenzothiophene-2-carbonyl)hydrazono]methyl]indol-1-yl]acetic acid Formula: C20H14N4O5S MolecularWeight: 422.41396

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2CC(=O)O)C=NNC(=O)C3=CC4=C(S3)C=CC(=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2CC(=O)O)C=NNC(=O)C3=CC4=C(S3)C=CC(=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H14N4O5S/c25-19(26)11-23-10-13(15-3-1-2-4-16(15)23)9-21-22-20(27)18-8-12-7-14(24(28)29)5-6-17(12)30-18/h1-10H,11H2,(H,22,27)(H,25,26)