(3-nitrophenyl)methyl 2-methylquinoline-4-carboxylate

Systemtic Name: (3-nitrophenyl)methyl 2-methylquinoline-4-carboxylate Openeye Name: (3-nitrophenyl)methyl 2-methylquinoline-4-carboxylate CAS Name: 2-methyl-4-quinolinecarboxylic acid (3-nitrophenyl)methyl ester IUPAC Name: (3-nitrophenyl)methyl 2-methylquinoline-4-carboxylate Traditional Name: 2-methylcinchoninic acid (3-nitrobenzyl) ester Formula: C18H14N2O4 MolecularWeight: 322.31476

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2C(=C1)C(=O)OCC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=NC2=CC=CC=C2C(=C1)C(=O)OCC3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H14N2O4/c1-12-9-16(15-7-2-3-8-17(15)19-12)18(21)24-11-13-5-4-6-14(10-13)20(22)23/h2-10H,11H2,1H3