methyl 3-[(4-chlorophenyl)methylcarbamoyl]-4-oxidanylidene-1H-cinnoline-6-carboxylate

Systemtic Name: methyl 3-[(4-chlorophenyl)methylcarbamoyl]-4-oxidanylidene-1H-cinnoline-6-carboxylate Openeye Name: methyl 3-[(4-chlorophenyl)methylcarbamoyl]-4-oxo-1H-cinnoline-6-carboxylate CAS Name: 3-[[(4-chlorophenyl)methylamino]-oxomethyl]-4-oxo-1H-cinnoline-6-carboxylic acid methyl ester IUPAC Name: methyl 3-[(4-chlorophenyl)methylcarbamoyl]-4-oxo-1H-cinnoline-6-carboxylate Traditional Name: 3-[(4-chlorobenzyl)carbamoyl]-4-keto-1H-cinnoline-6-carboxylic acid methyl ester Formula: C18H14ClN3O4 MolecularWeight: 371.77446

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)NN=C(C2=O)C(=O)NCC3=CC=C(C=C3)Cl

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)NN=C(C2=O)C(=O)NCC3=CC=C(C=C3)Cl

InChI

InChI=1S/C18H14ClN3O4/c1-26-18(25)11-4-7-14-13(8-11)16(23)15(22-21-14)17(24)20-9-10-2-5-12(19)6-3-10/h2-8H,9H2,1H3,(H,20,24)(H,21,23)