3,4,5-trimethoxy-N-[4-(3-methylbutanoylamino)phenyl]-2-nitro-benzamide

Systemtic Name: 3,4,5-trimethoxy-N-[4-(3-methylbutanoylamino)phenyl]-2-nitro-benzamide Openeye Name: 3,4,5-trimethoxy-N-[4-(3-methylbutanoylamino)phenyl]-2-nitro-benzamide CAS Name: 3,4,5-trimethoxy-N-[4-[(3-methyl-1-oxobutyl)amino]phenyl]-2-nitrobenzamide IUPAC Name: 3,4,5-trimethoxy-N-[4-(3-methylbutanoylamino)phenyl]-2-nitrobenzamide Traditional Name: N-[4-(isovalerylamino)phenyl]-3,4,5-trimethoxy-2-nitro-benzamide Formula: C21H25N3O7 MolecularWeight: 431.4391

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC1=CC=C(C=C1)NC(=O)C2=CC(=C(C(=C2[N+](=O)[O-])OC)OC)OC

Isomeric SMILES

CC(C)CC(=O)NC1=CC=C(C=C1)NC(=O)C2=CC(=C(C(=C2[N+](=O)[O-])OC)OC)OC

InChI

InChI=1S/C21H25N3O7/c1-12(2)10-17(25)22-13-6-8-14(9-7-13)23-21(26)15-11-16(29-3)19(30-4)20(31-5)18(15)24(27)28/h6-9,11-12H,10H2,1-5H3,(H,22,25)(H,23,26)