(E)-N-[4-(1-adamantyl)-2-methyl-phenyl]-3-(4-nitrophenyl)prop-2-enamide

Systemtic Name: (E)-N-[4-(1-adamantyl)-2-methyl-phenyl]-3-(4-nitrophenyl)prop-2-enamide Openeye Name: (E)-N-[4-(1-adamantyl)-2-methyl-phenyl]-3-(4-nitrophenyl)prop-2-enamide CAS Name: (E)-N-[4-(1-adamantyl)-2-methylphenyl]-3-(4-nitrophenyl)-2-propenamide IUPAC Name: (E)-N-[4-(1-adamantyl)-2-methylphenyl]-3-(4-nitrophenyl)prop-2-enamide Traditional Name: (E)-N-[4-(1-adamantyl)-2-methyl-phenyl]-3-(4-nitrophenyl)acrylamide Formula: C26H28N2O3 MolecularWeight: 416.51212

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C23CC4CC(C2)CC(C4)C3)NC(=O)C=CC5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C23CC4CC(C2)CC(C4)C3)NC(=O)/C=C/C5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C26H28N2O3/c1-17-10-22(26-14-19-11-20(15-26)13-21(12-19)16-26)5-8-24(17)27-25(29)9-4-18-2-6-23(7-3-18)28(30)31/h2-10,19-21H,11-16H2,1H3,(H,27,29)/b9-4+