1-adamantylmethyl 4-(2-chloranyl-6-nitro-phenyl)piperazine-1-carboxylate

Systemtic Name: 1-adamantylmethyl 4-(2-chloranyl-6-nitro-phenyl)piperazine-1-carboxylate Openeye Name: 1-adamantylmethyl 4-(2-chloro-6-nitro-phenyl)piperazine-1-carboxylate CAS Name: 4-(2-chloro-6-nitrophenyl)-1-piperazinecarboxylic acid 1-adamantylmethyl ester IUPAC Name: 1-adamantylmethyl 4-(2-chloro-6-nitrophenyl)piperazine-1-carboxylate Traditional Name: 4-(2-chloro-6-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=CC=C2Cl)[N+](=O)[O-])C(=O)OCC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

C1CN(CCN1C2=C(C=CC=C2Cl)[N+](=O)[O-])C(=O)OCC34CC5CC(C3)CC(C5)C4

InChI

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