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

Systemtic Name: N-[(4-chlorophenyl)methyl]-4-(6-nitro-2-oxidanylidene-1,3-benzoxazol-3-yl)butanamide Openeye Name: N-[(4-chlorophenyl)methyl]-4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)butanamide CAS Name: N-[(4-chlorophenyl)methyl]-4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)butanamide IUPAC Name: N-[(4-chlorophenyl)methyl]-4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)butanamide Traditional Name: N-(4-chlorobenzyl)-4-(2-keto-6-nitro-1,3-benzoxazol-3-yl)butyramide Formula: C18H16ClN3O5 MolecularWeight: 389.78974

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CNC(=O)CCCN2C3=C(C=C(C=C3)[N+](=O)[O-])OC2=O)Cl

Isomeric SMILES

C1=CC(=CC=C1CNC(=O)CCCN2C3=C(C=C(C=C3)[N+](=O)[O-])OC2=O)Cl

InChI

InChI=1S/C18H16ClN3O5/c19-13-5-3-12(4-6-13)11-20-17(23)2-1-9-21-15-8-7-14(22(25)26)10-16(15)27-18(21)24/h3-8,10H,1-2,9,11H2,(H,20,23)