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

Systemtic Name: N-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-4-(6-nitro-2-oxidanylidene-1,3-benzoxazol-3-yl)butanamide Openeye Name: N-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)butanamide CAS Name: N-[(4-chlorophenyl)-(1-methyl-2-imidazolyl)methyl]-4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)butanamide IUPAC Name: N-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)butanamide Traditional Name: N-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-4-(2-keto-6-nitro-1,3-benzoxazol-3-yl)butyramide Formula: C22H20ClN5O5 MolecularWeight: 469.8777

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1C(C2=CC=C(C=C2)Cl)NC(=O)CCCN3C4=C(C=C(C=C4)[N+](=O)[O-])OC3=O

Isomeric SMILES

CN1C=CN=C1C(C2=CC=C(C=C2)Cl)NC(=O)CCCN3C4=C(C=C(C=C4)[N+](=O)[O-])OC3=O

InChI

InChI=1S/C22H20ClN5O5/c1-26-12-10-24-21(26)20(14-4-6-15(23)7-5-14)25-19(29)3-2-11-27-17-9-8-16(28(31)32)13-18(17)33-22(27)30/h4-10,12-13,20H,2-3,11H2,1H3,(H,25,29)