butyl (E,2Z)-4-(3-nitrophenyl)-2-[(3-nitrophenyl)methylidene]but-3-enoate

Systemtic Name: butyl (E,2Z)-4-(3-nitrophenyl)-2-[(3-nitrophenyl)methylidene]but-3-enoate Openeye Name: butyl (E,2Z)-4-(3-nitrophenyl)-2-[(3-nitrophenyl)methylene]but-3-enoate CAS Name: (E,2Z)-4-(3-nitrophenyl)-2-[(3-nitrophenyl)methylidene]-3-butenoic acid butyl ester IUPAC Name: butyl (E,2Z)-4-(3-nitrophenyl)-2-[(3-nitrophenyl)methylidene]but-3-enoate Traditional Name: (E,2Z)-2-(3-nitrobenzylidene)-4-(3-nitrophenyl)but-3-enoic acid butyl ester Formula: C21H20N2O6 MolecularWeight: 396.3933

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C(=CC1=CC(=CC=C1)[N+](=O)[O-])C=CC2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CCCCOC(=O)/C(=C\C1=CC(=CC=C1)[N+](=O)[O-])/C=C/C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C21H20N2O6/c1-2-3-12-29-21(24)18(13-17-7-5-9-20(15-17)23(27)28)11-10-16-6-4-8-19(14-16)22(25)26/h4-11,13-15H,2-3,12H2,1H3/b11-10+,18-13-