N-[4-(3-methylbutanoylamino)phenyl]-3,5-dinitro-benzamide

Systemtic Name: N-[4-(3-methylbutanoylamino)phenyl]-3,5-dinitro-benzamide Openeye Name: N-[4-(3-methylbutanoylamino)phenyl]-3,5-dinitro-benzamide CAS Name: N-[4-[(3-methyl-1-oxobutyl)amino]phenyl]-3,5-dinitrobenzamide IUPAC Name: N-[4-(3-methylbutanoylamino)phenyl]-3,5-dinitrobenzamide Traditional Name: N-[4-(isovalerylamino)phenyl]-3,5-dinitro-benzamide Formula: C18H18N4O6 MolecularWeight: 386.35872

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N4O6/c1-11(2)7-17(23)19-13-3-5-14(6-4-13)20-18(24)12-8-15(21(25)26)10-16(9-12)22(27)28/h3-6,8-11H,7H2,1-2H3,(H,19,23)(H,20,24)