methyl 3-[[3-[[(5-nitro-1-benzofuran-2-yl)carbonylhydrazinylidene]methyl]indol-1-yl]methyl]benzoate

Systemtic Name: methyl 3-[[3-[[(5-nitro-1-benzofuran-2-yl)carbonylhydrazinylidene]methyl]indol-1-yl]methyl]benzoate Openeye Name: methyl 3-[[3-[[(5-nitrobenzofuran-2-carbonyl)hydrazono]methyl]indol-1-yl]methyl]benzoate CAS Name: 3-[[3-[[[(5-nitro-2-benzofuranyl)-oxomethyl]hydrazinylidene]methyl]-1-indolyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-[[3-[[(5-nitro-1-benzofuran-2-carbonyl)hydrazinylidene]methyl]indol-1-yl]methyl]benzoate Traditional Name: 3-[[3-[[(5-nitrobenzofuran-2-carbonyl)hydrazono]methyl]indol-1-yl]methyl]benzoic acid methyl ester Formula: C27H20N4O6 MolecularWeight: 496.4709

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)CN2C=C(C3=CC=CC=C32)C=NNC(=O)C4=CC5=C(O4)C=CC(=C5)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)CN2C=C(C3=CC=CC=C32)C=NNC(=O)C4=CC5=C(O4)C=CC(=C5)[N+](=O)[O-]

InChI

InChI=1S/C27H20N4O6/c1-36-27(33)18-6-4-5-17(11-18)15-30-16-20(22-7-2-3-8-23(22)30)14-28-29-26(32)25-13-19-12-21(31(34)35)9-10-24(19)37-25/h2-14,16H,15H2,1H3,(H,29,32)