3-[[2-cyano-3-(2-morpholin-4-yl-5-nitro-phenyl)prop-2-enoyl]amino]benzoic acid

Systemtic Name: 3-[[2-cyano-3-(2-morpholin-4-yl-5-nitro-phenyl)prop-2-enoyl]amino]benzoic acid Openeye Name: 3-[[2-cyano-3-(2-morpholino-5-nitro-phenyl)prop-2-enoyl]amino]benzoic acid CAS Name: 3-[[2-cyano-3-[2-(4-morpholinyl)-5-nitrophenyl]-1-oxoprop-2-enyl]amino]benzoic acid IUPAC Name: 3-[[2-cyano-3-(2-morpholin-4-yl-5-nitrophenyl)prop-2-enoyl]amino]benzoic acid Traditional Name: 3-[[2-cyano-3-(2-morpholino-5-nitro-phenyl)acryloyl]amino]benzoic acid Formula: C21H18N4O6 MolecularWeight: 422.39082

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C(C=C(C=C2)[N+](=O)[O-])C=C(C#N)C(=O)NC3=CC=CC(=C3)C(=O)O

Isomeric SMILES

C1COCCN1C2=C(C=C(C=C2)[N+](=O)[O-])C=C(C#N)C(=O)NC3=CC=CC(=C3)C(=O)O

InChI

InChI=1S/C21H18N4O6/c22-13-16(20(26)23-17-3-1-2-14(11-17)21(27)28)10-15-12-18(25(29)30)4-5-19(15)24-6-8-31-9-7-24/h1-5,10-12H,6-9H2,(H,23,26)(H,27,28)