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

Systemtic Name: ethyl 3-[(4-morpholin-4-ylphenyl)carbamoyl]-5-nitro-benzoate Openeye Name: ethyl 3-[(4-morpholinophenyl)carbamoyl]-5-nitro-benzoate CAS Name: 3-[[4-(4-morpholinyl)anilino]-oxomethyl]-5-nitrobenzoic acid ethyl ester IUPAC Name: ethyl 3-[(4-morpholin-4-ylphenyl)carbamoyl]-5-nitrobenzoate Traditional Name: 3-[(4-morpholinophenyl)carbamoyl]-5-nitro-benzoic acid ethyl ester Formula: C20H21N3O6 MolecularWeight: 399.39724

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1)C(=O)NC2=CC=C(C=C2)N3CCOCC3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)C(=O)NC2=CC=C(C=C2)N3CCOCC3)[N+](=O)[O-]

InChI

InChI=1S/C20H21N3O6/c1-2-29-20(25)15-11-14(12-18(13-15)23(26)27)19(24)21-16-3-5-17(6-4-16)22-7-9-28-10-8-22/h3-6,11-13H,2,7-10H2,1H3,(H,21,24)