[[2-morpholin-4-yl-3-(2-nitrophenyl)sulfanyl-cyclohex-2-en-1-ylidene]-(3-nitrophenyl)methyl] 3-nitrobenzoate

Systemtic Name: [[2-morpholin-4-yl-3-(2-nitrophenyl)sulfanyl-cyclohex-2-en-1-ylidene]-(3-nitrophenyl)methyl] 3-nitrobenzoate Openeye Name: [[2-morpholino-3-(2-nitrophenyl)sulfanyl-cyclohex-2-en-1-ylidene]-(3-nitrophenyl)methyl] 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid [[2-(4-morpholinyl)-3-[(2-nitrophenyl)thio]-1-cyclohex-2-enylidene]-(3-nitrophenyl)methyl] ester IUPAC Name: [[2-morpholin-4-yl-3-(2-nitrophenyl)sulfanylcyclohex-2-en-1-ylidene]-(3-nitrophenyl)methyl] 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid [[2-morpholino-3-[(2-nitrophenyl)thio]cyclohex-2-en-1-ylidene]-(3-nitrophenyl)methyl] ester Formula: C30H26N4O9S MolecularWeight: 618.61384

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(=C(C(=C(C2=CC(=CC=C2)[N+](=O)[O-])OC(=O)C3=CC(=CC=C3)[N+](=O)[O-])C1)N4CCOCC4)SC5=CC=CC=C5[N+](=O)[O-]

Isomeric SMILES

C1CC(=C(C(=C(C2=CC(=CC=C2)[N+](=O)[O-])OC(=O)C3=CC(=CC=C3)[N+](=O)[O-])C1)N4CCOCC4)SC5=CC=CC=C5[N+](=O)[O-]

InChI

InChI=1S/C30H26N4O9S/c35-30(21-7-4-9-23(19-21)33(38)39)43-29(20-6-3-8-22(18-20)32(36)37)24-10-5-13-27(28(24)31-14-16-42-17-15-31)44-26-12-2-1-11-25(26)34(40)41/h1-4,6-9,11-12,18-19H,5,10,13-17H2