(4-bromanyl-2-chloranyl-6-methyl-phenyl) 4-morpholin-4-yl-3-nitro-benzoate

Systemtic Name: (4-bromanyl-2-chloranyl-6-methyl-phenyl) 4-morpholin-4-yl-3-nitro-benzoate Openeye Name: (4-bromo-2-chloro-6-methyl-phenyl) 4-morpholino-3-nitro-benzoate CAS Name: 4-(4-morpholinyl)-3-nitrobenzoic acid (4-bromo-2-chloro-6-methylphenyl) ester IUPAC Name: (4-bromo-2-chloro-6-methylphenyl) 4-morpholin-4-yl-3-nitrobenzoate Traditional Name: 4-morpholino-3-nitro-benzoic acid (4-bromo-2-chloro-6-methyl-phenyl) ester Formula: C18H16BrClN2O5 MolecularWeight: 455.68704

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OC(=O)C2=CC(=C(C=C2)N3CCOCC3)[N+](=O)[O-])Cl)Br

Isomeric SMILES

CC1=CC(=CC(=C1OC(=O)C2=CC(=C(C=C2)N3CCOCC3)[N+](=O)[O-])Cl)Br

InChI

InChI=1S/C18H16BrClN2O5/c1-11-8-13(19)10-14(20)17(11)27-18(23)12-2-3-15(16(9-12)22(24)25)21-4-6-26-7-5-21/h2-3,8-10H,4-7H2,1H3