4-(cyclopropylamino)-N-[3-(2,4-dimethylphenyl)propyl]-3-nitro-benzamide

Systemtic Name: 4-(cyclopropylamino)-N-[3-(2,4-dimethylphenyl)propyl]-3-nitro-benzamide Openeye Name: 4-(cyclopropylamino)-N-[3-(2,4-dimethylphenyl)propyl]-3-nitro-benzamide CAS Name: 4-(cyclopropylamino)-N-[3-(2,4-dimethylphenyl)propyl]-3-nitrobenzamide IUPAC Name: 4-(cyclopropylamino)-N-[3-(2,4-dimethylphenyl)propyl]-3-nitrobenzamide Traditional Name: 4-(cyclopropylamino)-N-[3-(2,4-dimethylphenyl)propyl]-3-nitro-benzamide Formula: C21H25N3O3 MolecularWeight: 367.4415

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)CCCNC(=O)C2=CC(=C(C=C2)NC3CC3)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=C(C=C1)CCCNC(=O)C2=CC(=C(C=C2)NC3CC3)[N+](=O)[O-])C

InChI

InChI=1S/C21H25N3O3/c1-14-5-6-16(15(2)12-14)4-3-11-22-21(25)17-7-10-19(23-18-8-9-18)20(13-17)24(26)27/h5-7,10,12-13,18,23H,3-4,8-9,11H2,1-2H3,(H,22,25)