N-[2-[ethyl-(3-methylphenyl)amino]ethyl]-5-morpholin-4-yl-2-nitro-benzamide

Systemtic Name: N-[2-[ethyl-(3-methylphenyl)amino]ethyl]-5-morpholin-4-yl-2-nitro-benzamide Openeye Name: N-[2-(N-ethyl-3-methyl-anilino)ethyl]-5-morpholino-2-nitro-benzamide CAS Name: N-[2-(N-ethyl-3-methylanilino)ethyl]-5-(4-morpholinyl)-2-nitrobenzamide IUPAC Name: N-[2-(N-ethyl-3-methylanilino)ethyl]-5-morpholin-4-yl-2-nitrobenzamide Traditional Name: N-[2-(N-ethyl-3-methyl-anilino)ethyl]-5-morpholino-2-nitro-benzamide Formula: C22H28N4O4 MolecularWeight: 412.48212

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CCNC(=O)C1=C(C=CC(=C1)N2CCOCC2)[N+](=O)[O-])C3=CC=CC(=C3)C

Isomeric SMILES

CCN(CCNC(=O)C1=C(C=CC(=C1)N2CCOCC2)[N+](=O)[O-])C3=CC=CC(=C3)C

InChI

InChI=1S/C22H28N4O4/c1-3-24(18-6-4-5-17(2)15-18)10-9-23-22(27)20-16-19(7-8-21(20)26(28)29)25-11-13-30-14-12-25/h4-8,15-16H,3,9-14H2,1-2H3,(H,23,27)