N-(4-chloranyl-2,5-dimethoxy-phenyl)-4-(cyclopropylamino)-3-nitro-benzamide

Systemtic Name: N-(4-chloranyl-2,5-dimethoxy-phenyl)-4-(cyclopropylamino)-3-nitro-benzamide Openeye Name: N-(4-chloro-2,5-dimethoxy-phenyl)-4-(cyclopropylamino)-3-nitro-benzamide CAS Name: N-(4-chloro-2,5-dimethoxyphenyl)-4-(cyclopropylamino)-3-nitrobenzamide IUPAC Name: N-(4-chloro-2,5-dimethoxyphenyl)-4-(cyclopropylamino)-3-nitrobenzamide Traditional Name: N-(4-chloro-2,5-dimethoxy-phenyl)-4-(cyclopropylamino)-3-nitro-benzamide Formula: C18H18ClN3O5 MolecularWeight: 391.80562

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1NC(=O)C2=CC(=C(C=C2)NC3CC3)[N+](=O)[O-])OC)Cl

Isomeric SMILES

COC1=CC(=C(C=C1NC(=O)C2=CC(=C(C=C2)NC3CC3)[N+](=O)[O-])OC)Cl

InChI

InChI=1S/C18H18ClN3O5/c1-26-16-9-14(17(27-2)8-12(16)19)21-18(23)10-3-6-13(20-11-4-5-11)15(7-10)22(24)25/h3,6-9,11,20H,4-5H2,1-2H3,(H,21,23)