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

Systemtic Name: (5S,7R)-3-chloranyl-N-[2-[(3-nitrophenyl)amino]-2-oxidanylidene-ethyl]adamantane-1-carboxamide Openeye Name: (5S,7R)-3-chloro-N-[2-(3-nitroanilino)-2-oxo-ethyl]adamantane-1-carboxamide CAS Name: (5S,7R)-3-chloro-N-[2-(3-nitroanilino)-2-oxoethyl]-1-adamantanecarboxamide IUPAC Name: (5S,7R)-3-chloro-N-[2-(3-nitroanilino)-2-oxoethyl]adamantane-1-carboxamide Traditional Name: (5S,7R)-3-chloro-N-[2-keto-2-(3-nitroanilino)ethyl]adamantane-1-carboxamide Formula: C19H22ClN3O4 MolecularWeight: 391.84868

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3(CC1CC(C2)(C3)Cl)C(=O)NCC(=O)NC4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1[C@@H]2CC3(C[C@H]1CC(C2)(C3)Cl)C(=O)NCC(=O)NC4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C19H22ClN3O4/c20-19-8-12-4-13(9-19)7-18(6-12,11-19)17(25)21-10-16(24)22-14-2-1-3-15(5-14)23(26)27/h1-3,5,12-13H,4,6-11H2,(H,21,25)(H,22,24)/t12-,13+,18?,19?