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

Systemtic Name: 4-[[2-(5-methylfuran-2-yl)-2-morpholin-4-yl-ethyl]amino]-3-nitro-N-propan-2-yl-benzamide Openeye Name: N-isopropyl-4-[[2-(5-methyl-2-furyl)-2-morpholino-ethyl]amino]-3-nitro-benzamide CAS Name: 4-[[2-(5-methyl-2-furanyl)-2-(4-morpholinyl)ethyl]amino]-3-nitro-N-propan-2-ylbenzamide IUPAC Name: 4-[[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]amino]-3-nitro-N-propan-2-ylbenzamide Traditional Name: N-isopropyl-4-[[2-(5-methyl-2-furyl)-2-morpholino-ethyl]amino]-3-nitro-benzamide Formula: C21H28N4O5 MolecularWeight: 416.47082

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)C(CNC2=C(C=C(C=C2)C(=O)NC(C)C)[N+](=O)[O-])N3CCOCC3

Isomeric SMILES

CC1=CC=C(O1)C(CNC2=C(C=C(C=C2)C(=O)NC(C)C)[N+](=O)[O-])N3CCOCC3

InChI

InChI=1S/C21H28N4O5/c1-14(2)23-21(26)16-5-6-17(18(12-16)25(27)28)22-13-19(20-7-4-15(3)30-20)24-8-10-29-11-9-24/h4-7,12,14,19,22H,8-11,13H2,1-3H3,(H,23,26)