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

Systemtic Name: 1-adamantylmethyl N-[2-[(2-chloranyl-4-nitro-phenyl)amino]ethyl]carbamate Openeye Name: 1-adamantylmethyl N-[2-(2-chloro-4-nitro-anilino)ethyl]carbamate CAS Name: N-[2-(2-chloro-4-nitroanilino)ethyl]carbamic acid 1-adamantylmethyl ester IUPAC Name: 1-adamantylmethyl N-[2-(2-chloro-4-nitroanilino)ethyl]carbamate Traditional Name: N-[2-(2-chloro-4-nitro-anilino)ethyl]carbamic acid 1-adamantylmethyl ester Formula: C20H26ClN3O4 MolecularWeight: 407.89114

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26ClN3O4/c21-17-8-16(24(26)27)1-2-18(17)22-3-4-23-19(25)28-12-20-9-13-5-14(10-20)7-15(6-13)11-20/h1-2,8,13-15,22H,3-7,9-12H2,(H,23,25)