2-[5-(ethoxycarbonylcarbamoyl)-2,4-bis(oxidanylidene)pyrimidin-1-yl]ethyl 3-chloranylbenzoate

Systemtic Name: 2-[5-(ethoxycarbonylcarbamoyl)-2,4-bis(oxidanylidene)pyrimidin-1-yl]ethyl 3-chloranylbenzoate Openeye Name: 2-[5-(ethoxycarbonylcarbamoyl)-2,4-dioxo-pyrimidin-1-yl]ethyl 3-chlorobenzoate CAS Name: 3-chlorobenzoic acid 2-[5-[(ethoxycarbonylamino)-oxomethyl]-2,4-dioxo-1-pyrimidinyl]ethyl ester IUPAC Name: 2-[5-(ethoxycarbonylcarbamoyl)-2,4-dioxopyrimidin-1-yl]ethyl 3-chlorobenzoate Traditional Name: 3-chlorobenzoic acid 2-[5-(carbethoxycarbamoyl)-2,4-diketo-pyrimidin-1-yl]ethyl ester Formula: C17H16ClN3O7 MolecularWeight: 409.77784

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)NC(=O)C1=CN(C(=O)NC1=O)CCOC(=O)C2=CC(=CC=C2)Cl

Isomeric SMILES

CCOC(=O)NC(=O)C1=CN(C(=O)NC1=O)CCOC(=O)C2=CC(=CC=C2)Cl

InChI

InChI=1S/C17H16ClN3O7/c1-2-27-17(26)20-14(23)12-9-21(16(25)19-13(12)22)6-7-28-15(24)10-4-3-5-11(18)8-10/h3-5,8-9H,2,6-7H2,1H3,(H,19,22,25)(H,20,23,26)