N-[(E)-1-(1-adamantyl)propylideneamino]-3-methyl-4-nitro-benzamide

Systemtic Name: N-[(E)-1-(1-adamantyl)propylideneamino]-3-methyl-4-nitro-benzamide Openeye Name: N-[(E)-1-(1-adamantyl)propylideneamino]-3-methyl-4-nitro-benzamide CAS Name: N-[(E)-1-(1-adamantyl)propylideneamino]-3-methyl-4-nitrobenzamide IUPAC Name: N-[(E)-1-(1-adamantyl)propylideneamino]-3-methyl-4-nitrobenzamide Traditional Name: N-[(E)-1-(1-adamantyl)propylideneamino]-3-methyl-4-nitro-benzamide Formula: C21H27N3O3 MolecularWeight: 369.45738

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=NNC(=O)C1=CC(=C(C=C1)[N+](=O)[O-])C)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CC/C(=N\NC(=O)C1=CC(=C(C=C1)[N+](=O)[O-])C)/C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C21H27N3O3/c1-3-19(21-10-14-7-15(11-21)9-16(8-14)12-21)22-23-20(25)17-4-5-18(24(26)27)13(2)6-17/h4-6,14-16H,3,7-12H2,1-2H3,(H,23,25)/b22-19+