2-(4-morpholin-4-yl-3-nitro-phenyl)-3-(phenylmethyl)-1,3-oxazinane

Systemtic Name: 2-(4-morpholin-4-yl-3-nitro-phenyl)-3-(phenylmethyl)-1,3-oxazinane Openeye Name: 3-benzyl-2-(4-morpholino-3-nitro-phenyl)-1,3-oxazinane CAS Name: 2-[4-(4-morpholinyl)-3-nitrophenyl]-3-(phenylmethyl)-1,3-oxazinane IUPAC Name: 3-benzyl-2-(4-morpholin-4-yl-3-nitrophenyl)-1,3-oxazinane Traditional Name: 3-benzyl-2-(4-morpholino-3-nitro-phenyl)-1,3-oxazinane Formula: C21H25N3O4 MolecularWeight: 383.4409

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(OC1)C2=CC(=C(C=C2)N3CCOCC3)[N+](=O)[O-])CC4=CC=CC=C4

Isomeric SMILES

C1CN(C(OC1)C2=CC(=C(C=C2)N3CCOCC3)[N+](=O)[O-])CC4=CC=CC=C4

InChI

InChI=1S/C21H25N3O4/c25-24(26)20-15-18(7-8-19(20)22-10-13-27-14-11-22)21-23(9-4-12-28-21)16-17-5-2-1-3-6-17/h1-3,5-8,15,21H,4,9-14,16H2