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

Systemtic Name: methyl 2-[3-[[(5-nitro-1-benzothiophen-2-yl)carbonylhydrazinylidene]methyl]indol-1-yl]ethanoate Openeye Name: methyl 2-[3-[[(5-nitrobenzothiophene-2-carbonyl)hydrazono]methyl]indol-1-yl]acetate CAS Name: 2-[3-[[[(5-nitro-1-benzothiophen-2-yl)-oxomethyl]hydrazinylidene]methyl]-1-indolyl]acetic acid methyl ester IUPAC Name: methyl 2-[3-[[(5-nitro-1-benzothiophene-2-carbonyl)hydrazinylidene]methyl]indol-1-yl]acetate Traditional Name: 2-[3-[[(5-nitrobenzothiophene-2-carbonyl)hydrazono]methyl]indol-1-yl]acetic acid methyl ester Formula: C21H16N4O5S MolecularWeight: 436.44054

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CN1C=C(C2=CC=CC=C21)C=NNC(=O)C3=CC4=C(S3)C=CC(=C4)[N+](=O)[O-]

Isomeric SMILES

COC(=O)CN1C=C(C2=CC=CC=C21)C=NNC(=O)C3=CC4=C(S3)C=CC(=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H16N4O5S/c1-30-20(26)12-24-11-14(16-4-2-3-5-17(16)24)10-22-23-21(27)19-9-13-8-15(25(28)29)6-7-18(13)31-19/h2-11H,12H2,1H3,(H,23,27)