2-[[1-[(4-fluorophenyl)carbamoyl]-5-nitro-indol-3-yl]methyl]-3-methoxy-benzoic acid

Systemtic Name: 2-[[1-[(4-fluorophenyl)carbamoyl]-5-nitro-indol-3-yl]methyl]-3-methoxy-benzoic acid Openeye Name: 2-[[1-[(4-fluorophenyl)carbamoyl]-5-nitro-indol-3-yl]methyl]-3-methoxy-benzoic acid CAS Name: 2-[[1-[(4-fluoroanilino)-oxomethyl]-5-nitro-3-indolyl]methyl]-3-methoxybenzoic acid IUPAC Name: 2-[[1-[(4-fluorophenyl)carbamoyl]-5-nitroindol-3-yl]methyl]-3-methoxybenzoic acid Traditional Name: 2-[[1-[(4-fluorophenyl)carbamoyl]-5-nitro-indol-3-yl]methyl]-3-methoxy-benzoic acid Formula: C24H18FN3O6 MolecularWeight: 463.414623

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1CC2=CN(C3=C2C=C(C=C3)[N+](=O)[O-])C(=O)NC4=CC=C(C=C4)F)C(=O)O

Isomeric SMILES

COC1=CC=CC(=C1CC2=CN(C3=C2C=C(C=C3)[N+](=O)[O-])C(=O)NC4=CC=C(C=C4)F)C(=O)O

InChI

InChI=1S/C24H18FN3O6/c1-34-22-4-2-3-18(23(29)30)20(22)11-14-13-27(21-10-9-17(28(32)33)12-19(14)21)24(31)26-16-7-5-15(25)6-8-16/h2-10,12-13H,11H2,1H3,(H,26,31)(H,29,30)