5-ethoxy-4-methoxy-N-[4-(3-methylbutanoylamino)phenyl]-2-nitro-benzamide

Systemtic Name: 5-ethoxy-4-methoxy-N-[4-(3-methylbutanoylamino)phenyl]-2-nitro-benzamide Openeye Name: 5-ethoxy-4-methoxy-N-[4-(3-methylbutanoylamino)phenyl]-2-nitro-benzamide CAS Name: 5-ethoxy-4-methoxy-N-[4-[(3-methyl-1-oxobutyl)amino]phenyl]-2-nitrobenzamide IUPAC Name: 5-ethoxy-4-methoxy-N-[4-(3-methylbutanoylamino)phenyl]-2-nitrobenzamide Traditional Name: 5-ethoxy-N-[4-(isovalerylamino)phenyl]-4-methoxy-2-nitro-benzamide Formula: C21H25N3O6 MolecularWeight: 415.4397

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C(=C1)C(=O)NC2=CC=C(C=C2)NC(=O)CC(C)C)[N+](=O)[O-])OC

Isomeric SMILES

CCOC1=C(C=C(C(=C1)C(=O)NC2=CC=C(C=C2)NC(=O)CC(C)C)[N+](=O)[O-])OC

InChI

InChI=1S/C21H25N3O6/c1-5-30-19-11-16(17(24(27)28)12-18(19)29-4)21(26)23-15-8-6-14(7-9-15)22-20(25)10-13(2)3/h6-9,11-13H,5,10H2,1-4H3,(H,22,25)(H,23,26)