[2-[(4-fluorophenyl)amino]-2-oxidanylidene-ethyl] 3-(6-nitro-2-oxidanylidene-1,3-benzoxazol-3-yl)propanoate

Systemtic Name: [2-[(4-fluorophenyl)amino]-2-oxidanylidene-ethyl] 3-(6-nitro-2-oxidanylidene-1,3-benzoxazol-3-yl)propanoate Openeye Name: [2-(4-fluoroanilino)-2-oxo-ethyl] 3-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)propanoate CAS Name: 3-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)propanoic acid [2-(4-fluoroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-fluoroanilino)-2-oxoethyl] 3-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)propanoate Traditional Name: 3-(2-keto-6-nitro-1,3-benzoxazol-3-yl)propionic acid [2-(4-fluoroanilino)-2-keto-ethyl] ester Formula: C18H14FN3O7 MolecularWeight: 403.318063

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC(=O)COC(=O)CCN2C3=C(C=C(C=C3)[N+](=O)[O-])OC2=O)F

Isomeric SMILES

C1=CC(=CC=C1NC(=O)COC(=O)CCN2C3=C(C=C(C=C3)[N+](=O)[O-])OC2=O)F

InChI

InChI=1S/C18H14FN3O7/c19-11-1-3-12(4-2-11)20-16(23)10-28-17(24)7-8-21-14-6-5-13(22(26)27)9-15(14)29-18(21)25/h1-6,9H,7-8,10H2,(H,20,23)