4-(ethylamino)-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]-3-nitro-benzamide

Systemtic Name: 4-(ethylamino)-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]-3-nitro-benzamide Openeye Name: 4-(ethylamino)-N-methyl-N-[(4-morpholinophenyl)methyl]-3-nitro-benzamide CAS Name: 4-(ethylamino)-N-methyl-N-[[4-(4-morpholinyl)phenyl]methyl]-3-nitrobenzamide IUPAC Name: 4-(ethylamino)-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]-3-nitrobenzamide Traditional Name: 4-(ethylamino)-N-methyl-N-(4-morpholinobenzyl)-3-nitro-benzamide Formula: C21H26N4O4 MolecularWeight: 398.45554

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=C(C=C(C=C1)C(=O)N(C)CC2=CC=C(C=C2)N3CCOCC3)[N+](=O)[O-]

Isomeric SMILES

CCNC1=C(C=C(C=C1)C(=O)N(C)CC2=CC=C(C=C2)N3CCOCC3)[N+](=O)[O-]

InChI

InChI=1S/C21H26N4O4/c1-3-22-19-9-6-17(14-20(19)25(27)28)21(26)23(2)15-16-4-7-18(8-5-16)24-10-12-29-13-11-24/h4-9,14,22H,3,10-13,15H2,1-2H3