methyl 2-[(2-morpholin-4-yl-2-phenyl-ethyl)amino]-5-nitro-benzoate

Systemtic Name: methyl 2-[(2-morpholin-4-yl-2-phenyl-ethyl)amino]-5-nitro-benzoate Openeye Name: methyl 2-[(2-morpholino-2-phenyl-ethyl)amino]-5-nitro-benzoate CAS Name: 2-[[2-(4-morpholinyl)-2-phenylethyl]amino]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 2-[(2-morpholin-4-yl-2-phenylethyl)amino]-5-nitrobenzoate Traditional Name: 2-[(2-morpholino-2-phenyl-ethyl)amino]-5-nitro-benzoic acid methyl ester Formula: C20H23N3O5 MolecularWeight: 385.41372

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])NCC(C2=CC=CC=C2)N3CCOCC3

Isomeric SMILES

COC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])NCC(C2=CC=CC=C2)N3CCOCC3

InChI

InChI=1S/C20H23N3O5/c1-27-20(24)17-13-16(23(25)26)7-8-18(17)21-14-19(15-5-3-2-4-6-15)22-9-11-28-12-10-22/h2-8,13,19,21H,9-12,14H2,1H3