3-[(7-chloranyl-1,3-benzodioxol-5-yl)methyl]-1-ethyl-2,4-bis(oxidanylidene)pyrimidine-5-carbonitrile

Systemtic Name: 3-[(7-chloranyl-1,3-benzodioxol-5-yl)methyl]-1-ethyl-2,4-bis(oxidanylidene)pyrimidine-5-carbonitrile Openeye Name: 3-[(7-chloro-1,3-benzodioxol-5-yl)methyl]-1-ethyl-2,4-dioxo-pyrimidine-5-carbonitrile CAS Name: 3-[(7-chloro-1,3-benzodioxol-5-yl)methyl]-1-ethyl-2,4-dioxo-5-pyrimidinecarbonitrile IUPAC Name: 3-[(7-chloro-1,3-benzodioxol-5-yl)methyl]-1-ethyl-2,4-dioxopyrimidine-5-carbonitrile Traditional Name: 3-[(7-chloro-1,3-benzodioxol-5-yl)methyl]-1-ethyl-2,4-diketo-pyrimidine-5-carbonitrile Formula: C15H12ClN3O4 MolecularWeight: 333.72648

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)N(C1=O)CC2=CC3=C(C(=C2)Cl)OCO3)C#N

Isomeric SMILES

CCN1C=C(C(=O)N(C1=O)CC2=CC3=C(C(=C2)Cl)OCO3)C#N

InChI

InChI=1S/C15H12ClN3O4/c1-2-18-7-10(5-17)14(20)19(15(18)21)6-9-3-11(16)13-12(4-9)22-8-23-13/h3-4,7H,2,6,8H2,1H3