(2-chloranylquinolin-3-yl)methyl 5-ethoxy-4-methoxy-2-nitro-benzoate

Systemtic Name: (2-chloranylquinolin-3-yl)methyl 5-ethoxy-4-methoxy-2-nitro-benzoate Openeye Name: (2-chloro-3-quinolyl)methyl 5-ethoxy-4-methoxy-2-nitro-benzoate CAS Name: 5-ethoxy-4-methoxy-2-nitrobenzoic acid (2-chloro-3-quinolinyl)methyl ester IUPAC Name: (2-chloroquinolin-3-yl)methyl 5-ethoxy-4-methoxy-2-nitrobenzoate Traditional Name: 5-ethoxy-4-methoxy-2-nitro-benzoic acid (2-chloro-3-quinolyl)methyl ester Formula: C20H17ClN2O6 MolecularWeight: 416.81178

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C(=C1)C(=O)OCC2=CC3=CC=CC=C3N=C2Cl)[N+](=O)[O-])OC

Isomeric SMILES

CCOC1=C(C=C(C(=C1)C(=O)OCC2=CC3=CC=CC=C3N=C2Cl)[N+](=O)[O-])OC

InChI

InChI=1S/C20H17ClN2O6/c1-3-28-18-9-14(16(23(25)26)10-17(18)27-2)20(24)29-11-13-8-12-6-4-5-7-15(12)22-19(13)21/h4-10H,3,11H2,1-2H3