4-[[[2-butoxy-3,4-bis(oxidanylidene)cyclobuten-1-yl]amino]methyl]-3-chloranyl-benzenecarbonitrile

Systemtic Name: 4-[[[2-butoxy-3,4-bis(oxidanylidene)cyclobuten-1-yl]amino]methyl]-3-chloranyl-benzenecarbonitrile Openeye Name: 4-[[(2-butoxy-3,4-dioxo-cyclobuten-1-yl)amino]methyl]-3-chloro-benzonitrile CAS Name: 4-[[(2-butoxy-3,4-dioxo-1-cyclobutenyl)amino]methyl]-3-chlorobenzonitrile IUPAC Name: 4-[[(2-butoxy-3,4-dioxocyclobuten-1-yl)amino]methyl]-3-chlorobenzonitrile Traditional Name: 4-[[(2-butoxy-3,4-diketo-cyclobuten-1-yl)amino]methyl]-3-chloro-benzonitrile Formula: C16H15ClN2O3 MolecularWeight: 318.7549

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C(=O)C1=O)NCC2=C(C=C(C=C2)C#N)Cl

Isomeric SMILES

CCCCOC1=C(C(=O)C1=O)NCC2=C(C=C(C=C2)C#N)Cl

InChI

InChI=1S/C16H15ClN2O3/c1-2-3-6-22-16-13(14(20)15(16)21)19-9-11-5-4-10(8-18)7-12(11)17/h4-5,7,19H,2-3,6,9H2,1H3