ethyl 2-morpholin-4-yl-5-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]amino]benzoate

Systemtic Name: ethyl 2-morpholin-4-yl-5-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]amino]benzoate Openeye Name: ethyl 2-morpholino-5-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]amino]benzoate CAS Name: 2-(4-morpholinyl)-5-[[(E)-3-(3-nitrophenyl)-1-oxoprop-2-enyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 2-morpholin-4-yl-5-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]amino]benzoate Traditional Name: 2-morpholino-5-[[(E)-3-(3-nitrophenyl)acryloyl]amino]benzoic acid ethyl ester Formula: C22H23N3O6 MolecularWeight: 425.43452

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23N3O6/c1-2-31-22(27)19-15-17(7-8-20(19)24-10-12-30-13-11-24)23-21(26)9-6-16-4-3-5-18(14-16)25(28)29/h3-9,14-15H,2,10-13H2,1H3,(H,23,26)/b9-6+