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

Systemtic Name: N-methyl-N-[(2-methylphenyl)methyl]-4-(6-nitro-2-oxidanylidene-1,3-benzoxazol-3-yl)butanamide Openeye Name: N-methyl-4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)-N-(o-tolylmethyl)butanamide CAS Name: N-methyl-N-[(2-methylphenyl)methyl]-4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)butanamide IUPAC Name: N-methyl-N-[(2-methylphenyl)methyl]-4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)butanamide Traditional Name: 4-(2-keto-6-nitro-1,3-benzoxazol-3-yl)-N-methyl-N-(2-methylbenzyl)butyramide Formula: C20H21N3O5 MolecularWeight: 383.39784

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN(C)C(=O)CCCN2C3=C(C=C(C=C3)[N+](=O)[O-])OC2=O

Isomeric SMILES

CC1=CC=CC=C1CN(C)C(=O)CCCN2C3=C(C=C(C=C3)[N+](=O)[O-])OC2=O

InChI

InChI=1S/C20H21N3O5/c1-14-6-3-4-7-15(14)13-21(2)19(24)8-5-11-22-17-10-9-16(23(26)27)12-18(17)28-20(22)25/h3-4,6-7,9-10,12H,5,8,11,13H2,1-2H3