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

Systemtic Name: N-[[2-(diethylaminomethyl)phenyl]methyl]-4-(6-nitro-2-oxidanylidene-1,3-benzoxazol-3-yl)butanamide Openeye Name: N-[[2-(diethylaminomethyl)phenyl]methyl]-4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)butanamide CAS Name: N-[[2-(diethylaminomethyl)phenyl]methyl]-4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)butanamide IUPAC Name: N-[[2-(diethylaminomethyl)phenyl]methyl]-4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)butanamide Traditional Name: N-[2-(diethylaminomethyl)benzyl]-4-(2-keto-6-nitro-1,3-benzoxazol-3-yl)butyramide Formula: C23H28N4O5 MolecularWeight: 440.49222

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC1=CC=CC=C1CNC(=O)CCCN2C3=C(C=C(C=C3)[N+](=O)[O-])OC2=O

Isomeric SMILES

CCN(CC)CC1=CC=CC=C1CNC(=O)CCCN2C3=C(C=C(C=C3)[N+](=O)[O-])OC2=O

InChI

InChI=1S/C23H28N4O5/c1-3-25(4-2)16-18-9-6-5-8-17(18)15-24-22(28)10-7-13-26-20-12-11-19(27(30)31)14-21(20)32-23(26)29/h5-6,8-9,11-12,14H,3-4,7,10,13,15-16H2,1-2H3,(H,24,28)