4-(cyclopropylamino)-N-[2-[ethyl-(3-methylphenyl)amino]ethyl]-3-nitro-benzamide

Systemtic Name: 4-(cyclopropylamino)-N-[2-[ethyl-(3-methylphenyl)amino]ethyl]-3-nitro-benzamide Openeye Name: 4-(cyclopropylamino)-N-[2-(N-ethyl-3-methyl-anilino)ethyl]-3-nitro-benzamide CAS Name: 4-(cyclopropylamino)-N-[2-(N-ethyl-3-methylanilino)ethyl]-3-nitrobenzamide IUPAC Name: 4-(cyclopropylamino)-N-[2-(N-ethyl-3-methylanilino)ethyl]-3-nitrobenzamide Traditional Name: 4-(cyclopropylamino)-N-[2-(N-ethyl-3-methyl-anilino)ethyl]-3-nitro-benzamide Formula: C21H26N4O3 MolecularWeight: 382.45614

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CCNC(=O)C1=CC(=C(C=C1)NC2CC2)[N+](=O)[O-])C3=CC=CC(=C3)C

Isomeric SMILES

CCN(CCNC(=O)C1=CC(=C(C=C1)NC2CC2)[N+](=O)[O-])C3=CC=CC(=C3)C

InChI

InChI=1S/C21H26N4O3/c1-3-24(18-6-4-5-15(2)13-18)12-11-22-21(26)16-7-10-19(23-17-8-9-17)20(14-16)25(27)28/h4-7,10,13-14,17,23H,3,8-9,11-12H2,1-2H3,(H,22,26)