6-(2-azidoethoxymethyl)-4-(3-chlorophenyl)-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid

Systemtic Name: 6-(2-azidoethoxymethyl)-4-(3-chlorophenyl)-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid Openeye Name: 6-(2-azidoethoxymethyl)-4-(3-chlorophenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid CAS Name: 6-(2-azidoethoxymethyl)-4-(3-chlorophenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid IUPAC Name: 6-(2-azidoethoxymethyl)-4-(3-chlorophenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid Traditional Name: 6-(2-azidoethoxymethyl)-4-(3-chlorophenyl)-2-keto-3,4-dihydro-1H-pyrimidine-5-carboxylic acid Formula: C14H14ClN5O4 MolecularWeight: 351.74506

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Cl)C2C(=C(NC(=O)N2)COCCN=[N+]=[N-])C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)Cl)C2C(=C(NC(=O)N2)COCCN=[N+]=[N-])C(=O)O

InChI

InChI=1S/C14H14ClN5O4/c15-9-3-1-2-8(6-9)12-11(13(21)22)10(18-14(23)19-12)7-24-5-4-17-20-16/h1-3,6,12H,4-5,7H2,(H,21,22)(H2,18,19,23)