6-chloranyl-4-oxidanylidene-1-(phenylmethyl)quinoline-3-carboxylate

Systemtic Name: 6-chloranyl-4-oxidanylidene-1-(phenylmethyl)quinoline-3-carboxylate Openeye Name: 1-benzyl-6-chloro-4-oxo-quinoline-3-carboxylate CAS Name: 6-chloro-4-oxo-1-(phenylmethyl)-3-quinolinecarboxylate IUPAC Name: 1-benzyl-6-chloro-4-oxoquinoline-3-carboxylate Traditional Name: 1-benzyl-6-chloro-4-keto-quinoline-3-carboxylate Formula: C17H11ClNO3- MolecularWeight: 312.72714

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=C(C(=O)C3=C2C=CC(=C3)Cl)C(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CN2C=C(C(=O)C3=C2C=CC(=C3)Cl)C(=O)[O-]

InChI

InChI=1S/C17H12ClNO3/c18-12-6-7-15-13(8-12)16(20)14(17(21)22)10-19(15)9-11-4-2-1-3-5-11/h1-8,10H,9H2,(H,21,22)/p-1