N-(3-chloranyl-4-cyano-phenyl)-4-(6-nitro-2-oxidanylidene-1,3-benzoxazol-3-yl)butanamide

Systemtic Name: N-(3-chloranyl-4-cyano-phenyl)-4-(6-nitro-2-oxidanylidene-1,3-benzoxazol-3-yl)butanamide Openeye Name: N-(3-chloro-4-cyano-phenyl)-4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)butanamide CAS Name: N-(3-chloro-4-cyanophenyl)-4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)butanamide IUPAC Name: N-(3-chloro-4-cyanophenyl)-4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)butanamide Traditional Name: N-(3-chloro-4-cyano-phenyl)-4-(2-keto-6-nitro-1,3-benzoxazol-3-yl)butyramide Formula: C18H13ClN4O5 MolecularWeight: 400.77262

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1NC(=O)CCCN2C3=C(C=C(C=C3)[N+](=O)[O-])OC2=O)Cl)C#N

Isomeric SMILES

C1=CC(=C(C=C1NC(=O)CCCN2C3=C(C=C(C=C3)[N+](=O)[O-])OC2=O)Cl)C#N

InChI

InChI=1S/C18H13ClN4O5/c19-14-8-12(4-3-11(14)10-20)21-17(24)2-1-7-22-15-6-5-13(23(26)27)9-16(15)28-18(22)25/h3-6,8-9H,1-2,7H2,(H,21,24)