[4-[[2-[(3-chloranyl-4-methoxy-phenyl)methylcarbamoyl]-4-nitro-phenyl]amino]cyclohexyl] benzoate

Systemtic Name: [4-[[2-[(3-chloranyl-4-methoxy-phenyl)methylcarbamoyl]-4-nitro-phenyl]amino]cyclohexyl] benzoate Openeye Name: [4-[2-[(3-chloro-4-methoxy-phenyl)methylcarbamoyl]-4-nitro-anilino]cyclohexyl] benzoate CAS Name: benzoic acid [4-[2-[[(3-chloro-4-methoxyphenyl)methylamino]-oxomethyl]-4-nitroanilino]cyclohexyl] ester IUPAC Name: [4-[2-[(3-chloro-4-methoxyphenyl)methylcarbamoyl]-4-nitroanilino]cyclohexyl] benzoate Traditional Name: benzoic acid [4-[2-[(3-chloro-4-methoxy-benzyl)carbamoyl]-4-nitro-anilino]cyclohexyl] ester Formula: C28H28ClN3O6 MolecularWeight: 537.99142

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NC3CCC(CC3)OC(=O)C4=CC=CC=C4)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)CNC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NC3CCC(CC3)OC(=O)C4=CC=CC=C4)Cl

InChI

InChI=1S/C28H28ClN3O6/c1-37-26-14-7-18(15-24(26)29)17-30-27(33)23-16-21(32(35)36)10-13-25(23)31-20-8-11-22(12-9-20)38-28(34)19-5-3-2-4-6-19/h2-7,10,13-16,20,22,31H,8-9,11-12,17H2,1H3,(H,30,33)