2-(2-methyl-5-nitro-pyrrol-1-yl)ethyl 2-phenylquinoline-4-carboxylate

Systemtic Name: 2-(2-methyl-5-nitro-pyrrol-1-yl)ethyl 2-phenylquinoline-4-carboxylate Openeye Name: 2-(2-methyl-5-nitro-pyrrol-1-yl)ethyl 2-phenylquinoline-4-carboxylate CAS Name: 2-phenyl-4-quinolinecarboxylic acid 2-(2-methyl-5-nitro-1-pyrrolyl)ethyl ester IUPAC Name: 2-(2-methyl-5-nitropyrrol-1-yl)ethyl 2-phenylquinoline-4-carboxylate Traditional Name: 2-phenylcinchoninic acid 2-(2-methyl-5-nitro-pyrrol-1-yl)ethyl ester Formula: C23H19N3O4 MolecularWeight: 401.41466

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(N1CCOC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(N1CCOC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H19N3O4/c1-16-11-12-22(26(28)29)25(16)13-14-30-23(27)19-15-21(17-7-3-2-4-8-17)24-20-10-6-5-9-18(19)20/h2-12,15H,13-14H2,1H3