4-chloranyl-N-[1-(3,4-diethoxyphenyl)-2-methyl-propyl]-2-nitro-benzamide

Systemtic Name: 4-chloranyl-N-[1-(3,4-diethoxyphenyl)-2-methyl-propyl]-2-nitro-benzamide Openeye Name: 4-chloro-N-[1-(3,4-diethoxyphenyl)-2-methyl-propyl]-2-nitro-benzamide CAS Name: 4-chloro-N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]-2-nitrobenzamide IUPAC Name: 4-chloro-N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]-2-nitrobenzamide Traditional Name: 4-chloro-N-[1-(3,4-diethoxyphenyl)-2-methyl-propyl]-2-nitro-benzamide Formula: C21H25ClN2O5 MolecularWeight: 420.8866

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(C(C)C)NC(=O)C2=C(C=C(C=C2)Cl)[N+](=O)[O-])OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(C(C)C)NC(=O)C2=C(C=C(C=C2)Cl)[N+](=O)[O-])OCC

InChI

InChI=1S/C21H25ClN2O5/c1-5-28-18-10-7-14(11-19(18)29-6-2)20(13(3)4)23-21(25)16-9-8-15(22)12-17(16)24(26)27/h7-13,20H,5-6H2,1-4H3,(H,23,25)