7-[(3-chloranyl-2-fluoranyl-phenyl)methyl]-1-[(methoxycarbonylamino)methyl]-4-oxidanylidene-quinolizine-3-carboxylic acid

Systemtic Name: 7-[(3-chloranyl-2-fluoranyl-phenyl)methyl]-1-[(methoxycarbonylamino)methyl]-4-oxidanylidene-quinolizine-3-carboxylic acid Openeye Name: 7-[(3-chloro-2-fluoro-phenyl)methyl]-1-[(methoxycarbonylamino)methyl]-4-oxo-quinolizine-3-carboxylic acid CAS Name: 7-[(3-chloro-2-fluorophenyl)methyl]-1-[(methoxycarbonylamino)methyl]-4-oxo-3-quinolizinecarboxylic acid IUPAC Name: 7-[(3-chloro-2-fluorophenyl)methyl]-1-[(methoxycarbonylamino)methyl]-4-oxoquinolizine-3-carboxylic acid Traditional Name: 1-[(carbomethoxyamino)methyl]-7-(3-chloro-2-fluoro-benzyl)-4-keto-quinolizine-3-carboxylic acid Formula: C20H16ClFN2O5 MolecularWeight: 418.802843

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)NCC1=C2C=CC(=CN2C(=O)C(=C1)C(=O)O)CC3=C(C(=CC=C3)Cl)F

Isomeric SMILES

COC(=O)NCC1=C2C=CC(=CN2C(=O)C(=C1)C(=O)O)CC3=C(C(=CC=C3)Cl)F

InChI

InChI=1S/C20H16ClFN2O5/c1-29-20(28)23-9-13-8-14(19(26)27)18(25)24-10-11(5-6-16(13)24)7-12-3-2-4-15(21)17(12)22/h2-6,8,10H,7,9H2,1H3,(H,23,28)(H,26,27)