N-[2-(3,4-dimethoxyphenyl)cyclohexyl]-3,4-dinitro-benzamide

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)cyclohexyl]-3,4-dinitro-benzamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)cyclohexyl]-3,4-dinitro-benzamide CAS Name: N-[2-(3,4-dimethoxyphenyl)cyclohexyl]-3,4-dinitrobenzamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)cyclohexyl]-3,4-dinitrobenzamide Traditional Name: N-[2-(3,4-dimethoxyphenyl)cyclohexyl]-3,4-dinitro-benzamide Formula: C21H23N3O7 MolecularWeight: 429.42322

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2CCCCC2NC(=O)C3=CC(=C(C=C3)[N+](=O)[O-])[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2CCCCC2NC(=O)C3=CC(=C(C=C3)[N+](=O)[O-])[N+](=O)[O-])OC

InChI

InChI=1S/C21H23N3O7/c1-30-19-10-8-13(12-20(19)31-2)15-5-3-4-6-16(15)22-21(25)14-7-9-17(23(26)27)18(11-14)24(28)29/h7-12,15-16H,3-6H2,1-2H3,(H,22,25)