(2R)-2-(1-adamantylmethylamino)-N-(2-methoxy-5-nitro-phenyl)propanamide

Systemtic Name: (2R)-2-(1-adamantylmethylamino)-N-(2-methoxy-5-nitro-phenyl)propanamide Openeye Name: (2R)-2-(1-adamantylmethylamino)-N-(2-methoxy-5-nitro-phenyl)propanamide CAS Name: (2R)-2-(1-adamantylmethylamino)-N-(2-methoxy-5-nitrophenyl)propanamide IUPAC Name: (2R)-2-(1-adamantylmethylamino)-N-(2-methoxy-5-nitrophenyl)propanamide Traditional Name: (2R)-2-(1-adamantylmethylamino)-N-(2-methoxy-5-nitro-phenyl)propionamide Formula: C21H29N3O4 MolecularWeight: 387.47266

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])OC)NCC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

C[C@H](C(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])OC)NCC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C21H29N3O4/c1-13(20(25)23-18-8-17(24(26)27)3-4-19(18)28-2)22-12-21-9-14-5-15(10-21)7-16(6-14)11-21/h3-4,8,13-16,22H,5-7,9-12H2,1-2H3,(H,23,25)/t13-,14?,15?,16?,21?/m1/s1