N-[(4-fluoranyl-3-methyl-phenyl)methyl]-4-(6-nitro-2-oxidanylidene-1,3-benzoxazol-3-yl)butanamide

Systemtic Name: N-[(4-fluoranyl-3-methyl-phenyl)methyl]-4-(6-nitro-2-oxidanylidene-1,3-benzoxazol-3-yl)butanamide Openeye Name: N-[(4-fluoro-3-methyl-phenyl)methyl]-4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)butanamide CAS Name: N-[(4-fluoro-3-methylphenyl)methyl]-4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)butanamide IUPAC Name: N-[(4-fluoro-3-methylphenyl)methyl]-4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)butanamide Traditional Name: N-(4-fluoro-3-methyl-benzyl)-4-(2-keto-6-nitro-1,3-benzoxazol-3-yl)butyramide Formula: C19H18FN3O5 MolecularWeight: 387.361723

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)CNC(=O)CCCN2C3=C(C=C(C=C3)[N+](=O)[O-])OC2=O)F

Isomeric SMILES

CC1=C(C=CC(=C1)CNC(=O)CCCN2C3=C(C=C(C=C3)[N+](=O)[O-])OC2=O)F

InChI

InChI=1S/C19H18FN3O5/c1-12-9-13(4-6-15(12)20)11-21-18(24)3-2-8-22-16-7-5-14(23(26)27)10-17(16)28-19(22)25/h4-7,9-10H,2-3,8,11H2,1H3,(H,21,24)