[2-[(4-fluoranyl-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 3-(1H-indol-3-yl)propanoate

Systemtic Name: [2-[(4-fluoranyl-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 3-(1H-indol-3-yl)propanoate Openeye Name: [2-(4-fluoro-2-nitro-anilino)-2-oxo-ethyl] 3-(1H-indol-3-yl)propanoate CAS Name: 3-(1H-indol-3-yl)propanoic acid [2-(4-fluoro-2-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-fluoro-2-nitroanilino)-2-oxoethyl] 3-(1H-indol-3-yl)propanoate Traditional Name: 3-(1H-indol-3-yl)propionic acid [2-(4-fluoro-2-nitro-anilino)-2-keto-ethyl] ester Formula: C19H16FN3O5 MolecularWeight: 385.345843

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2)CCC(=O)OCC(=O)NC3=C(C=C(C=C3)F)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2)CCC(=O)OCC(=O)NC3=C(C=C(C=C3)F)[N+](=O)[O-]

InChI

InChI=1S/C19H16FN3O5/c20-13-6-7-16(17(9-13)23(26)27)22-18(24)11-28-19(25)8-5-12-10-21-15-4-2-1-3-14(12)15/h1-4,6-7,9-10,21H,5,8,11H2,(H,22,24)