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

Systemtic Name: 2-chloranyl-N-[4-(3-methylbutanoylamino)phenyl]-5-nitro-benzamide Openeye Name: 2-chloro-N-[4-(3-methylbutanoylamino)phenyl]-5-nitro-benzamide CAS Name: 2-chloro-N-[4-[(3-methyl-1-oxobutyl)amino]phenyl]-5-nitrobenzamide IUPAC Name: 2-chloro-N-[4-(3-methylbutanoylamino)phenyl]-5-nitrobenzamide Traditional Name: 2-chloro-N-[4-(isovalerylamino)phenyl]-5-nitro-benzamide Formula: C18H18ClN3O4 MolecularWeight: 375.80622

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18ClN3O4/c1-11(2)9-17(23)20-12-3-5-13(6-4-12)21-18(24)15-10-14(22(25)26)7-8-16(15)19/h3-8,10-11H,9H2,1-2H3,(H,20,23)(H,21,24)