methyl 4-[4-[(4-azanylcyclohexyl)carbamoyl]-2-nitro-phenyl]piperazine-1-carboxylate

Systemtic Name: methyl 4-[4-[(4-azanylcyclohexyl)carbamoyl]-2-nitro-phenyl]piperazine-1-carboxylate Openeye Name: methyl 4-[4-[(4-aminocyclohexyl)carbamoyl]-2-nitro-phenyl]piperazine-1-carboxylate CAS Name: 4-[4-[[(4-aminocyclohexyl)amino]-oxomethyl]-2-nitrophenyl]-1-piperazinecarboxylic acid methyl ester IUPAC Name: methyl 4-[4-[(4-aminocyclohexyl)carbamoyl]-2-nitrophenyl]piperazine-1-carboxylate Traditional Name: 4-[4-[(4-aminocyclohexyl)carbamoyl]-2-nitro-phenyl]piperazine-1-carboxylic acid methyl ester Formula: C19H27N5O5 MolecularWeight: 405.44818

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)N1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC3CCC(CC3)N)[N+](=O)[O-]

Isomeric SMILES

COC(=O)N1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC3CCC(CC3)N)[N+](=O)[O-]

InChI

InChI=1S/C19H27N5O5/c1-29-19(26)23-10-8-22(9-11-23)16-7-2-13(12-17(16)24(27)28)18(25)21-15-5-3-14(20)4-6-15/h2,7,12,14-15H,3-6,8-11,20H2,1H3,(H,21,25)