6-[(3-morpholin-4-ylpropylamino)methylidene]-2-nitro-4-(phenylmethyl)cyclohexa-2,4-dien-1-one

Systemtic Name: 6-[(3-morpholin-4-ylpropylamino)methylidene]-2-nitro-4-(phenylmethyl)cyclohexa-2,4-dien-1-one Openeye Name: 4-benzyl-6-[(3-morpholinopropylamino)methylene]-2-nitro-cyclohexa-2,4-dien-1-one CAS Name: 6-[[3-(4-morpholinyl)propylamino]methylidene]-2-nitro-4-(phenylmethyl)-1-cyclohexa-2,4-dienone IUPAC Name: 4-benzyl-6-[(3-morpholin-4-ylpropylamino)methylidene]-2-nitrocyclohexa-2,4-dien-1-one Traditional Name: 4-benzyl-6-[(3-morpholinopropylamino)methylene]-2-nitro-cyclohexa-2,4-dien-1-one Formula: C21H25N3O4 MolecularWeight: 383.4409

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CCCNC=C2C=C(C=C(C2=O)[N+](=O)[O-])CC3=CC=CC=C3

Isomeric SMILES

C1COCCN1CCCNC=C2C=C(C=C(C2=O)[N+](=O)[O-])CC3=CC=CC=C3

InChI

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