methyl 4-[(5-nitro-4-oxidanylidene-quinolin-1-yl)methyl]benzoate

Systemtic Name: methyl 4-[(5-nitro-4-oxidanylidene-quinolin-1-yl)methyl]benzoate Openeye Name: methyl 4-[(5-nitro-4-oxo-1-quinolyl)methyl]benzoate CAS Name: 4-[(5-nitro-4-oxo-1-quinolinyl)methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(5-nitro-4-oxoquinolin-1-yl)methyl]benzoate Traditional Name: 4-[(4-keto-5-nitro-1-quinolyl)methyl]benzoic acid methyl ester Formula: C18H14N2O5 MolecularWeight: 338.31416

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CN2C=CC(=O)C3=C2C=CC=C3[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CN2C=CC(=O)C3=C2C=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C18H14N2O5/c1-25-18(22)13-7-5-12(6-8-13)11-19-10-9-16(21)17-14(19)3-2-4-15(17)20(23)24/h2-10H,11H2,1H3