quinolin-8-ylmethyl 4-[(2-nitrophenyl)amino]butanoate

Systemtic Name: quinolin-8-ylmethyl 4-[(2-nitrophenyl)amino]butanoate Openeye Name: 8-quinolylmethyl 4-(2-nitroanilino)butanoate CAS Name: 4-(2-nitroanilino)butanoic acid 8-quinolinylmethyl ester IUPAC Name: quinolin-8-ylmethyl 4-(2-nitroanilino)butanoate Traditional Name: 4-(2-nitroanilino)butyric acid 8-quinolylmethyl ester Formula: C20H19N3O4 MolecularWeight: 365.38256

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)NCCCC(=O)OCC2=CC=CC3=C2N=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)NCCCC(=O)OCC2=CC=CC3=C2N=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H19N3O4/c24-19(11-5-12-21-17-9-1-2-10-18(17)23(25)26)27-14-16-7-3-6-15-8-4-13-22-20(15)16/h1-4,6-10,13,21H,5,11-12,14H2