N-[3-methyl-4-(2-phenylethanoylamino)phenyl]-3-nitro-benzamide

Systemtic Name: N-[3-methyl-4-(2-phenylethanoylamino)phenyl]-3-nitro-benzamide Openeye Name: N-[3-methyl-4-[(2-phenylacetyl)amino]phenyl]-3-nitro-benzamide CAS Name: N-[3-methyl-4-[(1-oxo-2-phenylethyl)amino]phenyl]-3-nitrobenzamide IUPAC Name: N-[3-methyl-4-[(2-phenylacetyl)amino]phenyl]-3-nitrobenzamide Traditional Name: N-[3-methyl-4-[(2-phenylacetyl)amino]phenyl]-3-nitro-benzamide Formula: C22H19N3O4 MolecularWeight: 389.40396

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-])NC(=O)CC3=CC=CC=C3

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-])NC(=O)CC3=CC=CC=C3

InChI

InChI=1S/C22H19N3O4/c1-15-12-18(23-22(27)17-8-5-9-19(14-17)25(28)29)10-11-20(15)24-21(26)13-16-6-3-2-4-7-16/h2-12,14H,13H2,1H3,(H,23,27)(H,24,26)