N-[2-[[4-(1-adamantylamino)-3-nitro-phenyl]amino]-2-oxidanylidene-ethyl]-N-methyl-4-phenyl-benzamide

Systemtic Name: N-[2-[[4-(1-adamantylamino)-3-nitro-phenyl]amino]-2-oxidanylidene-ethyl]-N-methyl-4-phenyl-benzamide Openeye Name: N-[2-[4-(1-adamantylamino)-3-nitro-anilino]-2-oxo-ethyl]-N-methyl-4-phenyl-benzamide CAS Name: N-[2-[4-(1-adamantylamino)-3-nitroanilino]-2-oxoethyl]-N-methyl-4-phenylbenzamide IUPAC Name: N-[2-[4-(1-adamantylamino)-3-nitroanilino]-2-oxoethyl]-N-methyl-4-phenylbenzamide Traditional Name: N-[2-[4-(1-adamantylamino)-3-nitro-anilino]-2-keto-ethyl]-N-methyl-4-phenyl-benzamide Formula: C32H34N4O4 MolecularWeight: 538.63676

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)NC1=CC(=C(C=C1)NC23CC4CC(C2)CC(C4)C3)[N+](=O)[O-])C(=O)C5=CC=C(C=C5)C6=CC=CC=C6

Isomeric SMILES

CN(CC(=O)NC1=CC(=C(C=C1)NC23CC4CC(C2)CC(C4)C3)[N+](=O)[O-])C(=O)C5=CC=C(C=C5)C6=CC=CC=C6

InChI

InChI=1S/C32H34N4O4/c1-35(31(38)26-9-7-25(8-10-26)24-5-3-2-4-6-24)20-30(37)33-27-11-12-28(29(16-27)36(39)40)34-32-17-21-13-22(18-32)15-23(14-21)19-32/h2-12,16,21-23,34H,13-15,17-20H2,1H3,(H,33,37)