2-(1-adamantyl)ethyl N-[2-[(2-chloranyl-4-nitro-phenyl)amino]ethyl]carbamate

Systemtic Name: 2-(1-adamantyl)ethyl N-[2-[(2-chloranyl-4-nitro-phenyl)amino]ethyl]carbamate Openeye Name: 2-(1-adamantyl)ethyl N-[2-(2-chloro-4-nitro-anilino)ethyl]carbamate CAS Name: N-[2-(2-chloro-4-nitroanilino)ethyl]carbamic acid 2-(1-adamantyl)ethyl ester IUPAC Name: 2-(1-adamantyl)ethyl N-[2-(2-chloro-4-nitroanilino)ethyl]carbamate Traditional Name: N-[2-(2-chloro-4-nitro-anilino)ethyl]carbamic acid 2-(1-adamantyl)ethyl ester Formula: C21H28ClN3O4 MolecularWeight: 421.91772

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)CCOC(=O)NCCNC4=C(C=C(C=C4)[N+](=O)[O-])Cl

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)CCOC(=O)NCCNC4=C(C=C(C=C4)[N+](=O)[O-])Cl

InChI

InChI=1S/C21H28ClN3O4/c22-18-10-17(25(27)28)1-2-19(18)23-4-5-24-20(26)29-6-3-21-11-14-7-15(12-21)9-16(8-14)13-21/h1-2,10,14-16,23H,3-9,11-13H2,(H,24,26)