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

Systemtic Name: (2-chloranylquinolin-3-yl)methyl 3-methyl-4-nitro-benzoate Openeye Name: (2-chloro-3-quinolyl)methyl 3-methyl-4-nitro-benzoate CAS Name: 3-methyl-4-nitrobenzoic acid (2-chloro-3-quinolinyl)methyl ester IUPAC Name: (2-chloroquinolin-3-yl)methyl 3-methyl-4-nitrobenzoate Traditional Name: 3-methyl-4-nitro-benzoic acid (2-chloro-3-quinolyl)methyl ester Formula: C18H13ClN2O4 MolecularWeight: 356.75982

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)OCC2=CC3=CC=CC=C3N=C2Cl)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)OCC2=CC3=CC=CC=C3N=C2Cl)[N+](=O)[O-]

InChI

InChI=1S/C18H13ClN2O4/c1-11-8-13(6-7-16(11)21(23)24)18(22)25-10-14-9-12-4-2-3-5-15(12)20-17(14)19/h2-9H,10H2,1H3