N-[3-azanyl-1-[4-(2-morpholin-4-ylethylamino)-3-nitro-phenyl]-3-oxidanylidene-propyl]benzamide

Systemtic Name: N-[3-azanyl-1-[4-(2-morpholin-4-ylethylamino)-3-nitro-phenyl]-3-oxidanylidene-propyl]benzamide Openeye Name: N-[3-amino-1-[4-(2-morpholinoethylamino)-3-nitro-phenyl]-3-oxo-propyl]benzamide CAS Name: N-[3-amino-1-[4-[2-(4-morpholinyl)ethylamino]-3-nitrophenyl]-3-oxopropyl]benzamide IUPAC Name: N-[3-amino-1-[4-(2-morpholin-4-ylethylamino)-3-nitrophenyl]-3-oxopropyl]benzamide Traditional Name: N-[3-amino-3-keto-1-[4-(2-morpholinoethylamino)-3-nitro-phenyl]propyl]benzamide Formula: C22H27N5O5 MolecularWeight: 441.48028

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CCNC2=C(C=C(C=C2)C(CC(=O)N)NC(=O)C3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1COCCN1CCNC2=C(C=C(C=C2)C(CC(=O)N)NC(=O)C3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H27N5O5/c23-21(28)15-19(25-22(29)16-4-2-1-3-5-16)17-6-7-18(20(14-17)27(30)31)24-8-9-26-10-12-32-13-11-26/h1-7,14,19,24H,8-13,15H2,(H2,23,28)(H,25,29)