N-[4-(2-cyanopropan-2-yl)phenyl]-2-methoxy-5-nitro-benzamide

Systemtic Name: N-[4-(2-cyanopropan-2-yl)phenyl]-2-methoxy-5-nitro-benzamide Openeye Name: N-[4-(1-cyano-1-methyl-ethyl)phenyl]-2-methoxy-5-nitro-benzamide CAS Name: N-[4-(2-cyanopropan-2-yl)phenyl]-2-methoxy-5-nitrobenzamide IUPAC Name: N-[4-(2-cyanopropan-2-yl)phenyl]-2-methoxy-5-nitrobenzamide Traditional Name: N-[4-(1-cyano-1-methyl-ethyl)phenyl]-2-methoxy-5-nitro-benzamide Formula: C18H17N3O4 MolecularWeight: 339.34528

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17N3O4/c1-18(2,11-19)12-4-6-13(7-5-12)20-17(22)15-10-14(21(23)24)8-9-16(15)25-3/h4-10H,1-3H3,(H,20,22)