[5-(morpholin-4-ylmethyl)quinolin-8-yl] 3-nitrobenzoate

Systemtic Name: [5-(morpholin-4-ylmethyl)quinolin-8-yl] 3-nitrobenzoate Openeye Name: [5-(morpholinomethyl)-8-quinolyl] 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid [5-(4-morpholinylmethyl)-8-quinolinyl] ester IUPAC Name: [5-(morpholin-4-ylmethyl)quinolin-8-yl] 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid [5-(morpholinomethyl)-8-quinolyl] ester Formula: C21H19N3O5 MolecularWeight: 393.39266

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CC2=C3C=CC=NC3=C(C=C2)OC(=O)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1COCCN1CC2=C3C=CC=NC3=C(C=C2)OC(=O)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H19N3O5/c25-21(15-3-1-4-17(13-15)24(26)27)29-19-7-6-16(14-23-9-11-28-12-10-23)18-5-2-8-22-20(18)19/h1-8,13H,9-12,14H2