N-[4-(1-imidazol-1-ylethyl)-2-nitro-phenyl]-3-oxidanylidene-3-phenyl-propanamide

Systemtic Name: N-[4-(1-imidazol-1-ylethyl)-2-nitro-phenyl]-3-oxidanylidene-3-phenyl-propanamide Openeye Name: N-[4-(1-imidazol-1-ylethyl)-2-nitro-phenyl]-3-oxo-3-phenyl-propanamide CAS Name: N-[4-[1-(1-imidazolyl)ethyl]-2-nitrophenyl]-3-oxo-3-phenylpropanamide IUPAC Name: N-[4-(1-imidazol-1-ylethyl)-2-nitrophenyl]-3-oxo-3-phenylpropanamide Traditional Name: N-[4-(1-imidazol-1-ylethyl)-2-nitro-phenyl]-3-keto-3-phenyl-propionamide Formula: C20H18N4O4 MolecularWeight: 378.38132

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18N4O4/c1-14(23-10-9-21-13-23)16-7-8-17(18(11-16)24(27)28)22-20(26)12-19(25)15-5-3-2-4-6-15/h2-11,13-14H,12H2,1H3,(H,22,26)