methyl 3-[methyl-[(4-morpholin-4-ylphenyl)methyl]carbamoyl]-5-nitro-benzoate

Systemtic Name: methyl 3-[methyl-[(4-morpholin-4-ylphenyl)methyl]carbamoyl]-5-nitro-benzoate Openeye Name: methyl 3-[methyl-[(4-morpholinophenyl)methyl]carbamoyl]-5-nitro-benzoate CAS Name: 3-[[methyl-[[4-(4-morpholinyl)phenyl]methyl]amino]-oxomethyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-[methyl-[(4-morpholin-4-ylphenyl)methyl]carbamoyl]-5-nitrobenzoate Traditional Name: 3-[methyl-(4-morpholinobenzyl)carbamoyl]-5-nitro-benzoic acid methyl ester Formula: C21H23N3O6 MolecularWeight: 413.42382

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=C(C=C1)N2CCOCC2)C(=O)C3=CC(=CC(=C3)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CN(CC1=CC=C(C=C1)N2CCOCC2)C(=O)C3=CC(=CC(=C3)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C21H23N3O6/c1-22(14-15-3-5-18(6-4-15)23-7-9-30-10-8-23)20(25)16-11-17(21(26)29-2)13-19(12-16)24(27)28/h3-6,11-13H,7-10,14H2,1-2H3