propan-2-yl 4-[[(E)-3-(4-morpholin-4-yl-3-nitro-phenyl)prop-2-enoyl]amino]benzoate

Systemtic Name: propan-2-yl 4-[[(E)-3-(4-morpholin-4-yl-3-nitro-phenyl)prop-2-enoyl]amino]benzoate Openeye Name: isopropyl 4-[[(E)-3-(4-morpholino-3-nitro-phenyl)prop-2-enoyl]amino]benzoate CAS Name: 4-[[(E)-3-[4-(4-morpholinyl)-3-nitrophenyl]-1-oxoprop-2-enyl]amino]benzoic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-[[(E)-3-(4-morpholin-4-yl-3-nitrophenyl)prop-2-enoyl]amino]benzoate Traditional Name: 4-[[(E)-3-(4-morpholino-3-nitro-phenyl)acryloyl]amino]benzoic acid isopropyl ester Formula: C23H25N3O6 MolecularWeight: 439.4611

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H25N3O6/c1-16(2)32-23(28)18-5-7-19(8-6-18)24-22(27)10-4-17-3-9-20(21(15-17)26(29)30)25-11-13-31-14-12-25/h3-10,15-16H,11-14H2,1-2H3,(H,24,27)/b10-4+