N-[4-[(3-chlorophenyl)-imidazol-1-yl-methyl]-2-nitro-phenyl]-3-oxidanylidene-butanamide

Systemtic Name: N-[4-[(3-chlorophenyl)-imidazol-1-yl-methyl]-2-nitro-phenyl]-3-oxidanylidene-butanamide Openeye Name: N-[4-[(3-chlorophenyl)-imidazol-1-yl-methyl]-2-nitro-phenyl]-3-oxo-butanamide CAS Name: N-[4-[(3-chlorophenyl)-(1-imidazolyl)methyl]-2-nitrophenyl]-3-oxobutanamide IUPAC Name: N-[4-[(3-chlorophenyl)-imidazol-1-ylmethyl]-2-nitrophenyl]-3-oxobutanamide Traditional Name: N-[4-[(3-chlorophenyl)-imidazol-1-yl-methyl]-2-nitro-phenyl]-3-keto-butyramide Formula: C20H17ClN4O4 MolecularWeight: 412.82638

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC(=O)NC1=C(C=C(C=C1)C(C2=CC(=CC=C2)Cl)N3C=CN=C3)[N+](=O)[O-]

Isomeric SMILES

CC(=O)CC(=O)NC1=C(C=C(C=C1)C(C2=CC(=CC=C2)Cl)N3C=CN=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H17ClN4O4/c1-13(26)9-19(27)23-17-6-5-15(11-18(17)25(28)29)20(24-8-7-22-12-24)14-3-2-4-16(21)10-14/h2-8,10-12,20H,9H2,1H3,(H,23,27)