(4-aminocarbonyl-2-nitro-phenyl)methyl 2-propan-2-ylquinoline-4-carboxylate

Systemtic Name: (4-aminocarbonyl-2-nitro-phenyl)methyl 2-propan-2-ylquinoline-4-carboxylate Openeye Name: (4-carbamoyl-2-nitro-phenyl)methyl 2-isopropylquinoline-4-carboxylate CAS Name: 2-propan-2-yl-4-quinolinecarboxylic acid (4-carbamoyl-2-nitrophenyl)methyl ester IUPAC Name: (4-carbamoyl-2-nitrophenyl)methyl 2-propan-2-ylquinoline-4-carboxylate Traditional Name: 2-isopropylcinchoninic acid (4-carbamoyl-2-nitro-benzyl) ester Formula: C21H19N3O5 MolecularWeight: 393.39266

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19N3O5/c1-12(2)18-10-16(15-5-3-4-6-17(15)23-18)21(26)29-11-14-8-7-13(20(22)25)9-19(14)24(27)28/h3-10,12H,11H2,1-2H3,(H2,22,25)