[2-[(4-fluorophenyl)amino]-2-oxidanylidene-ethyl] 5-[(3-nitrophenyl)amino]-5-oxidanylidene-pentanoate

Systemtic Name: [2-[(4-fluorophenyl)amino]-2-oxidanylidene-ethyl] 5-[(3-nitrophenyl)amino]-5-oxidanylidene-pentanoate Openeye Name: [2-(4-fluoroanilino)-2-oxo-ethyl] 5-(3-nitroanilino)-5-oxo-pentanoate CAS Name: 5-(3-nitroanilino)-5-oxopentanoic acid [2-(4-fluoroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-fluoroanilino)-2-oxoethyl] 5-(3-nitroanilino)-5-oxopentanoate Traditional Name: 5-keto-5-(3-nitroanilino)valeric acid [2-(4-fluoroanilino)-2-keto-ethyl] ester Formula: C19H18FN3O6 MolecularWeight: 403.361123

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])NC(=O)CCCC(=O)OCC(=O)NC2=CC=C(C=C2)F

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])NC(=O)CCCC(=O)OCC(=O)NC2=CC=C(C=C2)F

InChI

InChI=1S/C19H18FN3O6/c20-13-7-9-14(10-8-13)21-18(25)12-29-19(26)6-2-5-17(24)22-15-3-1-4-16(11-15)23(27)28/h1,3-4,7-11H,2,5-6,12H2,(H,21,25)(H,22,24)