N-methyl-N-[2-(2-methylphenoxy)ethyl]-4-morpholin-4-yl-3-nitro-benzamide

Systemtic Name: N-methyl-N-[2-(2-methylphenoxy)ethyl]-4-morpholin-4-yl-3-nitro-benzamide Openeye Name: N-methyl-N-[2-(2-methylphenoxy)ethyl]-4-morpholino-3-nitro-benzamide CAS Name: N-methyl-N-[2-(2-methylphenoxy)ethyl]-4-(4-morpholinyl)-3-nitrobenzamide IUPAC Name: N-methyl-N-[2-(2-methylphenoxy)ethyl]-4-morpholin-4-yl-3-nitrobenzamide Traditional Name: N-methyl-N-[2-(2-methylphenoxy)ethyl]-4-morpholino-3-nitro-benzamide Formula: C21H25N3O5 MolecularWeight: 399.4403

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1OCCN(C)C(=O)C2=CC(=C(C=C2)N3CCOCC3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1OCCN(C)C(=O)C2=CC(=C(C=C2)N3CCOCC3)[N+](=O)[O-]

InChI

InChI=1S/C21H25N3O5/c1-16-5-3-4-6-20(16)29-14-9-22(2)21(25)17-7-8-18(19(15-17)24(26)27)23-10-12-28-13-11-23/h3-8,15H,9-14H2,1-2H3