(2R)-1-(1-adamantylcarbonyl)-N-(4-methyl-3-nitro-phenyl)pyrrolidine-2-carboxamide

Systemtic Name: (2R)-1-(1-adamantylcarbonyl)-N-(4-methyl-3-nitro-phenyl)pyrrolidine-2-carboxamide Openeye Name: (2R)-1-(adamantane-1-carbonyl)-N-(4-methyl-3-nitro-phenyl)pyrrolidine-2-carboxamide CAS Name: (2R)-1-[1-adamantyl(oxo)methyl]-N-(4-methyl-3-nitrophenyl)-2-pyrrolidinecarboxamide IUPAC Name: (2R)-1-(adamantane-1-carbonyl)-N-(4-methyl-3-nitrophenyl)pyrrolidine-2-carboxamide Traditional Name: (2R)-1-(adamantane-1-carbonyl)-N-(4-methyl-3-nitro-phenyl)pyrrolidine-2-carboxamide Formula: C23H29N3O4 MolecularWeight: 411.49406

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2CCCN2C(=O)C34CC5CC(C3)CC(C5)C4)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)[C@H]2CCCN2C(=O)C34CC5CC(C3)CC(C5)C4)[N+](=O)[O-]

InChI

InChI=1S/C23H29N3O4/c1-14-4-5-18(10-20(14)26(29)30)24-21(27)19-3-2-6-25(19)22(28)23-11-15-7-16(12-23)9-17(8-15)13-23/h4-5,10,15-17,19H,2-3,6-9,11-13H2,1H3,(H,24,27)/t15?,16?,17?,19-,23?/m1/s1