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

Systemtic Name: (4-chloranyl-3-methyl-phenyl) 4-morpholin-4-yl-3-nitro-benzoate Openeye Name: (4-chloro-3-methyl-phenyl) 4-morpholino-3-nitro-benzoate CAS Name: 4-(4-morpholinyl)-3-nitrobenzoic acid (4-chloro-3-methylphenyl) ester IUPAC Name: (4-chloro-3-methylphenyl) 4-morpholin-4-yl-3-nitrobenzoate Traditional Name: 4-morpholino-3-nitro-benzoic acid (4-chloro-3-methyl-phenyl) ester Formula: C18H17ClN2O5 MolecularWeight: 376.79098

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OC(=O)C2=CC(=C(C=C2)N3CCOCC3)[N+](=O)[O-])Cl

Isomeric SMILES

CC1=C(C=CC(=C1)OC(=O)C2=CC(=C(C=C2)N3CCOCC3)[N+](=O)[O-])Cl

InChI

InChI=1S/C18H17ClN2O5/c1-12-10-14(3-4-15(12)19)26-18(22)13-2-5-16(17(11-13)21(23)24)20-6-8-25-9-7-20/h2-5,10-11H,6-9H2,1H3