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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C(=O)C1=O)NC2=C(C(=C(C=C2)C#N)C)Cl

Isomeric SMILES

CCCCOC1=C(C(=O)C1=O)NC2=C(C(=C(C=C2)C#N)C)Cl

InChI

InChI=1S/C16H15ClN2O3/c1-3-4-7-22-16-13(14(20)15(16)21)19-11-6-5-10(8-18)9(2)12(11)17/h5-6,19H,3-4,7H2,1-2H3