(7-methoxynaphthalen-2-yl) 2-morpholin-4-yl-5-nitro-benzoate

Systemtic Name: (7-methoxynaphthalen-2-yl) 2-morpholin-4-yl-5-nitro-benzoate Openeye Name: (7-methoxy-2-naphthyl) 2-morpholino-5-nitro-benzoate CAS Name: 2-(4-morpholinyl)-5-nitrobenzoic acid (7-methoxy-2-naphthalenyl) ester IUPAC Name: (7-methoxynaphthalen-2-yl) 2-morpholin-4-yl-5-nitrobenzoate Traditional Name: 2-morpholino-5-nitro-benzoic acid (7-methoxy-2-naphthyl) ester Formula: C22H20N2O6 MolecularWeight: 408.404

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C=CC(=C2)OC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])N4CCOCC4

Isomeric SMILES

COC1=CC2=C(C=C1)C=CC(=C2)OC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])N4CCOCC4

InChI

InChI=1S/C22H20N2O6/c1-28-18-5-2-15-3-6-19(13-16(15)12-18)30-22(25)20-14-17(24(26)27)4-7-21(20)23-8-10-29-11-9-23/h2-7,12-14H,8-11H2,1H3