(2R)-2-(1-adamantylamino)-N-(2-methoxy-4-nitro-phenyl)propanamide

Systemtic Name: (2R)-2-(1-adamantylamino)-N-(2-methoxy-4-nitro-phenyl)propanamide Openeye Name: (2R)-2-(1-adamantylamino)-N-(2-methoxy-4-nitro-phenyl)propanamide CAS Name: (2R)-2-(1-adamantylamino)-N-(2-methoxy-4-nitrophenyl)propanamide IUPAC Name: (2R)-2-(1-adamantylamino)-N-(2-methoxy-4-nitrophenyl)propanamide Traditional Name: (2R)-2-(1-adamantylamino)-N-(2-methoxy-4-nitro-phenyl)propionamide Formula: C20H27N3O4 MolecularWeight: 373.44608

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@H](C(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])OC)NC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C20H27N3O4/c1-12(22-20-9-13-5-14(10-20)7-15(6-13)11-20)19(24)21-17-4-3-16(23(25)26)8-18(17)27-2/h3-4,8,12-15,22H,5-7,9-11H2,1-2H3,(H,21,24)/t12-,13?,14?,15?,20?/m1/s1