[2-(3-nitrophenyl)-2-oxidanylidene-ethyl] 2,6,8-trimethylquinoline-4-carboxylate

Systemtic Name: [2-(3-nitrophenyl)-2-oxidanylidene-ethyl] 2,6,8-trimethylquinoline-4-carboxylate Openeye Name: [2-(3-nitrophenyl)-2-oxo-ethyl] 2,6,8-trimethylquinoline-4-carboxylate CAS Name: 2,6,8-trimethyl-4-quinolinecarboxylic acid [2-(3-nitrophenyl)-2-oxoethyl] ester IUPAC Name: [2-(3-nitrophenyl)-2-oxoethyl] 2,6,8-trimethylquinoline-4-carboxylate Traditional Name: 2,6,8-trimethylcinchoninic acid [2-keto-2-(3-nitrophenyl)ethyl] ester Formula: C21H18N2O5 MolecularWeight: 378.37802

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)C(=CC(=N2)C)C(=O)OCC(=O)C3=CC(=CC=C3)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=C2C(=C1)C(=CC(=N2)C)C(=O)OCC(=O)C3=CC(=CC=C3)[N+](=O)[O-])C

InChI

InChI=1S/C21H18N2O5/c1-12-7-13(2)20-17(8-12)18(9-14(3)22-20)21(25)28-11-19(24)15-5-4-6-16(10-15)23(26)27/h4-10H,11H2,1-3H3