(2-chloranylquinolin-3-yl)methyl 4-morpholin-4-yl-3-nitro-benzoate

Systemtic Name: (2-chloranylquinolin-3-yl)methyl 4-morpholin-4-yl-3-nitro-benzoate Openeye Name: (2-chloro-3-quinolyl)methyl 4-morpholino-3-nitro-benzoate CAS Name: 4-(4-morpholinyl)-3-nitrobenzoic acid (2-chloro-3-quinolinyl)methyl ester IUPAC Name: (2-chloroquinolin-3-yl)methyl 4-morpholin-4-yl-3-nitrobenzoate Traditional Name: 4-morpholino-3-nitro-benzoic acid (2-chloro-3-quinolyl)methyl ester Formula: C21H18ClN3O5 MolecularWeight: 427.83772

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C(C=C(C=C2)C(=O)OCC3=CC4=CC=CC=C4N=C3Cl)[N+](=O)[O-]

Isomeric SMILES

C1COCCN1C2=C(C=C(C=C2)C(=O)OCC3=CC4=CC=CC=C4N=C3Cl)[N+](=O)[O-]

InChI

InChI=1S/C21H18ClN3O5/c22-20-16(11-14-3-1-2-4-17(14)23-20)13-30-21(26)15-5-6-18(19(12-15)25(27)28)24-7-9-29-10-8-24/h1-6,11-12H,7-10,13H2