4-[2-[(4-fluorophenyl)amino]-1-(5-nitro-1H-indol-3-yl)-2-oxidanylidene-ethyl]-3-methoxy-benzoic acid

Systemtic Name: 4-[2-[(4-fluorophenyl)amino]-1-(5-nitro-1H-indol-3-yl)-2-oxidanylidene-ethyl]-3-methoxy-benzoic acid Openeye Name: 4-[2-(4-fluoroanilino)-1-(5-nitro-1H-indol-3-yl)-2-oxo-ethyl]-3-methoxy-benzoic acid CAS Name: 4-[2-(4-fluoroanilino)-1-(5-nitro-1H-indol-3-yl)-2-oxoethyl]-3-methoxybenzoic acid IUPAC Name: 4-[2-(4-fluoroanilino)-1-(5-nitro-1H-indol-3-yl)-2-oxoethyl]-3-methoxybenzoic acid Traditional Name: 4-[2-(4-fluoroanilino)-2-keto-1-(5-nitro-1H-indol-3-yl)ethyl]-3-methoxy-benzoic acid Formula: C24H18FN3O6 MolecularWeight: 463.414623

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(=O)O)C(C2=CNC3=C2C=C(C=C3)[N+](=O)[O-])C(=O)NC4=CC=C(C=C4)F

Isomeric SMILES

COC1=C(C=CC(=C1)C(=O)O)C(C2=CNC3=C2C=C(C=C3)[N+](=O)[O-])C(=O)NC4=CC=C(C=C4)F

InChI

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