3-chloranyl-4-[[[2-ethoxy-3,4-bis(oxidanylidene)cyclobuten-1-yl]amino]methyl]-5-methyl-benzenecarbonitrile

Systemtic Name: 3-chloranyl-4-[[[2-ethoxy-3,4-bis(oxidanylidene)cyclobuten-1-yl]amino]methyl]-5-methyl-benzenecarbonitrile Openeye Name: 3-chloro-4-[[(2-ethoxy-3,4-dioxo-cyclobuten-1-yl)amino]methyl]-5-methyl-benzonitrile CAS Name: 3-chloro-4-[[(2-ethoxy-3,4-dioxo-1-cyclobutenyl)amino]methyl]-5-methylbenzonitrile IUPAC Name: 3-chloro-4-[[(2-ethoxy-3,4-dioxocyclobuten-1-yl)amino]methyl]-5-methylbenzonitrile Traditional Name: 3-chloro-4-[[(2-ethoxy-3,4-diketo-cyclobuten-1-yl)amino]methyl]-5-methyl-benzonitrile Formula: C15H13ClN2O3 MolecularWeight: 304.72832

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=O)C1=O)NCC2=C(C=C(C=C2Cl)C#N)C

Isomeric SMILES

CCOC1=C(C(=O)C1=O)NCC2=C(C=C(C=C2Cl)C#N)C

InChI

InChI=1S/C15H13ClN2O3/c1-3-21-15-12(13(19)14(15)20)18-7-10-8(2)4-9(6-17)5-11(10)16/h4-5,18H,3,7H2,1-2H3