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

Systemtic Name: methyl 4-morpholin-4-yl-3-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]amino]benzoate Openeye Name: methyl 4-morpholino-3-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]amino]benzoate CAS Name: 4-(4-morpholinyl)-3-[[(E)-3-(3-nitrophenyl)-1-oxoprop-2-enyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-morpholin-4-yl-3-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]amino]benzoate Traditional Name: 4-morpholino-3-[[(E)-3-(3-nitrophenyl)acryloyl]amino]benzoic acid methyl ester Formula: C21H21N3O6 MolecularWeight: 411.40794

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)N2CCOCC2)NC(=O)C=CC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)N2CCOCC2)NC(=O)/C=C/C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H21N3O6/c1-29-21(26)16-6-7-19(23-9-11-30-12-10-23)18(14-16)22-20(25)8-5-15-3-2-4-17(13-15)24(27)28/h2-8,13-14H,9-12H2,1H3,(H,22,25)/b8-5+