3-[2-(4-bromophenyl)ethanoylamino]-3-[4-(2-morpholin-4-ylethylamino)-3-nitro-phenyl]propanamide

Systemtic Name: 3-[2-(4-bromophenyl)ethanoylamino]-3-[4-(2-morpholin-4-ylethylamino)-3-nitro-phenyl]propanamide Openeye Name: 3-[[2-(4-bromophenyl)acetyl]amino]-3-[4-(2-morpholinoethylamino)-3-nitro-phenyl]propanamide CAS Name: 3-[[2-(4-bromophenyl)-1-oxoethyl]amino]-3-[4-[2-(4-morpholinyl)ethylamino]-3-nitrophenyl]propanamide IUPAC Name: 3-[[2-(4-bromophenyl)acetyl]amino]-3-[4-(2-morpholin-4-ylethylamino)-3-nitrophenyl]propanamide Traditional Name: 3-[[2-(4-bromophenyl)acetyl]amino]-3-[4-(2-morpholinoethylamino)-3-nitro-phenyl]propionamide Formula: C23H28BrN5O5 MolecularWeight: 534.40292

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CCNC2=C(C=C(C=C2)C(CC(=O)N)NC(=O)CC3=CC=C(C=C3)Br)[N+](=O)[O-]

Isomeric SMILES

C1COCCN1CCNC2=C(C=C(C=C2)C(CC(=O)N)NC(=O)CC3=CC=C(C=C3)Br)[N+](=O)[O-]

InChI

InChI=1S/C23H28BrN5O5/c24-18-4-1-16(2-5-18)13-23(31)27-20(15-22(25)30)17-3-6-19(21(14-17)29(32)33)26-7-8-28-9-11-34-12-10-28/h1-6,14,20,26H,7-13,15H2,(H2,25,30)(H,27,31)