4-morpholin-4-yl-3-nitro-N-[(2S)-1-(4-propan-2-ylphenoxy)propan-2-yl]benzamide

Systemtic Name: 4-morpholin-4-yl-3-nitro-N-[(2S)-1-(4-propan-2-ylphenoxy)propan-2-yl]benzamide Openeye Name: N-[(1S)-2-(4-isopropylphenoxy)-1-methyl-ethyl]-4-morpholino-3-nitro-benzamide CAS Name: 4-(4-morpholinyl)-3-nitro-N-[(2S)-1-(4-propan-2-ylphenoxy)propan-2-yl]benzamide IUPAC Name: 4-morpholin-4-yl-3-nitro-N-[(2S)-1-(4-propan-2-ylphenoxy)propan-2-yl]benzamide Traditional Name: N-[(1S)-2-(4-isopropylphenoxy)-1-methyl-ethyl]-4-morpholino-3-nitro-benzamide Formula: C23H29N3O5 MolecularWeight: 427.49346

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)OCC(C)NC(=O)C2=CC(=C(C=C2)N3CCOCC3)[N+](=O)[O-]

Isomeric SMILES

C[C@@H](COC1=CC=C(C=C1)C(C)C)NC(=O)C2=CC(=C(C=C2)N3CCOCC3)[N+](=O)[O-]

InChI

InChI=1S/C23H29N3O5/c1-16(2)18-4-7-20(8-5-18)31-15-17(3)24-23(27)19-6-9-21(22(14-19)26(28)29)25-10-12-30-13-11-25/h4-9,14,16-17H,10-13,15H2,1-3H3,(H,24,27)/t17-/m0/s1