1-adamantylmethyl 4-(2-chloranyl-4-nitro-phenyl)piperazine-1-carboxylate

Systemtic Name: 1-adamantylmethyl 4-(2-chloranyl-4-nitro-phenyl)piperazine-1-carboxylate Openeye Name: 1-adamantylmethyl 4-(2-chloro-4-nitro-phenyl)piperazine-1-carboxylate CAS Name: 4-(2-chloro-4-nitrophenyl)-1-piperazinecarboxylic acid 1-adamantylmethyl ester IUPAC Name: 1-adamantylmethyl 4-(2-chloro-4-nitrophenyl)piperazine-1-carboxylate Traditional Name: 4-(2-chloro-4-nitro-phenyl)piperazine-1-carboxylic acid 1-adamantylmethyl ester Formula: C22H28ClN3O4 MolecularWeight: 433.92842

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C=C(C=C2)[N+](=O)[O-])Cl)C(=O)OCC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

C1CN(CCN1C2=C(C=C(C=C2)[N+](=O)[O-])Cl)C(=O)OCC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C22H28ClN3O4/c23-19-10-18(26(28)29)1-2-20(19)24-3-5-25(6-4-24)21(27)30-14-22-11-15-7-16(12-22)9-17(8-15)13-22/h1-2,10,15-17H,3-9,11-14H2