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

Systemtic Name: N-[3-[3-(2,4-dimethylphenyl)propylamino]-3-oxidanylidene-propyl]-4-nitro-benzamide Openeye Name: N-[3-[3-(2,4-dimethylphenyl)propylamino]-3-oxo-propyl]-4-nitro-benzamide CAS Name: N-[3-[3-(2,4-dimethylphenyl)propylamino]-3-oxopropyl]-4-nitrobenzamide IUPAC Name: N-[3-[3-(2,4-dimethylphenyl)propylamino]-3-oxopropyl]-4-nitrobenzamide Traditional Name: N-[3-[3-(2,4-dimethylphenyl)propylamino]-3-keto-propyl]-4-nitro-benzamide Formula: C21H25N3O4 MolecularWeight: 383.4409

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O4/c1-15-5-6-17(16(2)14-15)4-3-12-22-20(25)11-13-23-21(26)18-7-9-19(10-8-18)24(27)28/h5-10,14H,3-4,11-13H2,1-2H3,(H,22,25)(H,23,26)