(4-aminocarbonyl-2-nitro-phenyl)methyl 2-ethyl-3-methyl-quinoline-4-carboxylate

Systemtic Name: (4-aminocarbonyl-2-nitro-phenyl)methyl 2-ethyl-3-methyl-quinoline-4-carboxylate Openeye Name: (4-carbamoyl-2-nitro-phenyl)methyl 2-ethyl-3-methyl-quinoline-4-carboxylate CAS Name: 2-ethyl-3-methyl-4-quinolinecarboxylic acid (4-carbamoyl-2-nitrophenyl)methyl ester IUPAC Name: (4-carbamoyl-2-nitrophenyl)methyl 2-ethyl-3-methylquinoline-4-carboxylate Traditional Name: 2-ethyl-3-methyl-cinchoninic acid (4-carbamoyl-2-nitro-benzyl) ester Formula: C21H19N3O5 MolecularWeight: 393.39266

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=CC=CC=C2C(=C1C)C(=O)OCC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

CCC1=NC2=CC=CC=C2C(=C1C)C(=O)OCC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C21H19N3O5/c1-3-16-12(2)19(15-6-4-5-7-17(15)23-16)21(26)29-11-14-9-8-13(20(22)25)10-18(14)24(27)28/h4-10H,3,11H2,1-2H3,(H2,22,25)