5-(4-butylsulfanyl-3-nitro-phenyl)-2-[1-(ethoxyamino)propylidene]cyclohexane-1,3-dione

Systemtic Name: 5-(4-butylsulfanyl-3-nitro-phenyl)-2-[1-(ethoxyamino)propylidene]cyclohexane-1,3-dione Openeye Name: 5-(4-butylsulfanyl-3-nitro-phenyl)-2-[1-(ethoxyamino)propylidene]cyclohexane-1,3-dione CAS Name: 5-[4-(butylthio)-3-nitrophenyl]-2-[1-(ethoxyamino)propylidene]cyclohexane-1,3-dione IUPAC Name: 5-(4-butylsulfanyl-3-nitrophenyl)-2-[1-(ethoxyamino)propylidene]cyclohexane-1,3-dione Traditional Name: 5-[4-(butylthio)-3-nitro-phenyl]-2-[1-(ethoxyamino)propylidene]cyclohexane-1,3-quinone Formula: C21H28N2O5S MolecularWeight: 420.52242

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=C(C=C(C=C1)C2CC(=O)C(=C(CC)NOCC)C(=O)C2)[N+](=O)[O-]

Isomeric SMILES

CCCCSC1=C(C=C(C=C1)C2CC(=O)C(=C(CC)NOCC)C(=O)C2)[N+](=O)[O-]

InChI

InChI=1S/C21H28N2O5S/c1-4-7-10-29-20-9-8-14(11-17(20)23(26)27)15-12-18(24)21(19(25)13-15)16(5-2)22-28-6-3/h8-9,11,15,22H,4-7,10,12-13H2,1-3H3