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

Systemtic Name: propyl 2-morpholin-4-yl-5-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]amino]benzoate Openeye Name: propyl 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 propyl ester IUPAC Name: propyl 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 propyl ester Formula: C23H25N3O6 MolecularWeight: 439.4611

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H25N3O6/c1-2-12-32-23(28)20-16-18(7-8-21(20)25-10-13-31-14-11-25)24-22(27)9-6-17-4-3-5-19(15-17)26(29)30/h3-9,15-16H,2,10-14H2,1H3,(H,24,27)/b9-6+