2,4-bis(oxidanylidene)-1H-pyrimidine-6-carboxylic acid; 2-dimethylaminoethyl 2-(4-chloranylphenoxy)ethanoate

Systemtic Name: 2,4-bis(oxidanylidene)-1H-pyrimidine-6-carboxylic acid; 2-dimethylaminoethyl 2-(4-chloranylphenoxy)ethanoate Openeye Name: 2-dimethylaminoethyl 2-(4-chlorophenoxy)acetate; 2,4-dioxo-1H-pyrimidine-6-carboxylic acid CAS Name: 2-(4-chlorophenoxy)acetic acid 2-dimethylaminoethyl ester; 2,4-dioxo-1H-pyrimidine-6-carboxylic acid IUPAC Name: 2-dimethylaminoethyl 2-(4-chlorophenoxy)acetate; 2,4-dioxo-1H-pyrimidine-6-carboxylic acid Traditional Name: 2-(4-chlorophenoxy)acetic acid 2-dimethylaminoethyl ester; orotic acid Formula: C17H20ClN3O7 MolecularWeight: 413.8096

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCOC(=O)COC1=CC=C(C=C1)Cl.C1=C(NC(=O)NC1=O)C(=O)O

Isomeric SMILES

CN(C)CCOC(=O)COC1=CC=C(C=C1)Cl.C1=C(NC(=O)NC1=O)C(=O)O

InChI

InChI=1S/C12H16ClNO3.C5H4N2O4/c1-14(2)7-8-16-12(15)9-17-11-5-3-10(13)4-6-11;8-3-1-2(4(9)10)6-5(11)7-3/h3-6H,7-9H2,1-2H3;1H,(H,9,10)(H2,6,7,8,11)