(8-methyl-2-oxidanylidene-1H-quinolin-3-yl)methyl 4-nitrobenzoate

Systemtic Name: (8-methyl-2-oxidanylidene-1H-quinolin-3-yl)methyl 4-nitrobenzoate Openeye Name: (8-methyl-2-oxo-1H-quinolin-3-yl)methyl 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid (8-methyl-2-oxo-1H-quinolin-3-yl)methyl ester IUPAC Name: (8-methyl-2-oxo-1H-quinolin-3-yl)methyl 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid (2-keto-8-methyl-1H-quinolin-3-yl)methyl ester Formula: C18H14N2O5 MolecularWeight: 338.31416

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1NC(=O)C(=C2)COC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC2=C1NC(=O)C(=C2)COC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

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