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

Systemtic Name: ethyl 3-[methyl-[(4-morpholin-4-ylphenyl)methyl]carbamoyl]-5-nitro-benzoate Openeye Name: ethyl 3-[methyl-[(4-morpholinophenyl)methyl]carbamoyl]-5-nitro-benzoate CAS Name: 3-[[methyl-[[4-(4-morpholinyl)phenyl]methyl]amino]-oxomethyl]-5-nitrobenzoic acid ethyl ester IUPAC Name: ethyl 3-[methyl-[(4-morpholin-4-ylphenyl)methyl]carbamoyl]-5-nitrobenzoate Traditional Name: 3-[methyl-(4-morpholinobenzyl)carbamoyl]-5-nitro-benzoic acid ethyl ester Formula: C22H25N3O6 MolecularWeight: 427.4504

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1)C(=O)N(C)CC2=CC=C(C=C2)N3CCOCC3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)C(=O)N(C)CC2=CC=C(C=C2)N3CCOCC3)[N+](=O)[O-]

InChI

InChI=1S/C22H25N3O6/c1-3-31-22(27)18-12-17(13-20(14-18)25(28)29)21(26)23(2)15-16-4-6-19(7-5-16)24-8-10-30-11-9-24/h4-7,12-14H,3,8-11,15H2,1-2H3