(5S,7R)-3-chloranyl-N-[2-[(2-methyl-3-nitro-phenyl)amino]-2-oxidanylidene-ethyl]adamantane-1-carboxamide

Systemtic Name: (5S,7R)-3-chloranyl-N-[2-[(2-methyl-3-nitro-phenyl)amino]-2-oxidanylidene-ethyl]adamantane-1-carboxamide Openeye Name: (5S,7R)-3-chloro-N-[2-(2-methyl-3-nitro-anilino)-2-oxo-ethyl]adamantane-1-carboxamide CAS Name: (5S,7R)-3-chloro-N-[2-(2-methyl-3-nitroanilino)-2-oxoethyl]-1-adamantanecarboxamide IUPAC Name: (5S,7R)-3-chloro-N-[2-(2-methyl-3-nitroanilino)-2-oxoethyl]adamantane-1-carboxamide Traditional Name: (5S,7R)-3-chloro-N-[2-keto-2-(2-methyl-3-nitro-anilino)ethyl]adamantane-1-carboxamide Formula: C20H24ClN3O4 MolecularWeight: 405.87526

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])NC(=O)CNC(=O)C23C[C@H]4C[C@@H](C2)CC(C4)(C3)Cl

InChI

InChI=1S/C20H24ClN3O4/c1-12-15(3-2-4-16(12)24(27)28)23-17(25)10-22-18(26)19-6-13-5-14(7-19)9-20(21,8-13)11-19/h2-4,13-14H,5-11H2,1H3,(H,22,26)(H,23,25)/t13-,14+,19?,20?