ethyl 1-(furan-2-ylmethyl)-2-methyl-6-(3-nitrophenyl)-5-oxidanyl-indole-3-carboxylate

Systemtic Name: ethyl 1-(furan-2-ylmethyl)-2-methyl-6-(3-nitrophenyl)-5-oxidanyl-indole-3-carboxylate Openeye Name: ethyl 1-(2-furylmethyl)-5-hydroxy-2-methyl-6-(3-nitrophenyl)indole-3-carboxylate CAS Name: 1-(2-furanylmethyl)-5-hydroxy-2-methyl-6-(3-nitrophenyl)-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(furan-2-ylmethyl)-5-hydroxy-2-methyl-6-(3-nitrophenyl)indole-3-carboxylate Traditional Name: 1-(2-furfuryl)-5-hydroxy-2-methyl-6-(3-nitrophenyl)indole-3-carboxylic acid ethyl ester Formula: C23H20N2O6 MolecularWeight: 420.4147

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C2=CC(=C(C=C21)O)C3=CC(=CC=C3)[N+](=O)[O-])CC4=CC=CO4)C

Isomeric SMILES

CCOC(=O)C1=C(N(C2=CC(=C(C=C21)O)C3=CC(=CC=C3)[N+](=O)[O-])CC4=CC=CO4)C

InChI

InChI=1S/C23H20N2O6/c1-3-30-23(27)22-14(2)24(13-17-8-5-9-31-17)20-11-18(21(26)12-19(20)22)15-6-4-7-16(10-15)25(28)29/h4-12,26H,3,13H2,1-2H3