3-[[2-cyano-3-[3-ethoxy-4-[(3-nitrophenyl)methoxy]phenyl]prop-2-enoyl]amino]benzoic acid

Systemtic Name: 3-[[2-cyano-3-[3-ethoxy-4-[(3-nitrophenyl)methoxy]phenyl]prop-2-enoyl]amino]benzoic acid Openeye Name: 3-[[2-cyano-3-[3-ethoxy-4-[(3-nitrophenyl)methoxy]phenyl]prop-2-enoyl]amino]benzoic acid CAS Name: 3-[[2-cyano-3-[3-ethoxy-4-[(3-nitrophenyl)methoxy]phenyl]-1-oxoprop-2-enyl]amino]benzoic acid IUPAC Name: 3-[[2-cyano-3-[3-ethoxy-4-[(3-nitrophenyl)methoxy]phenyl]prop-2-enoyl]amino]benzoic acid Traditional Name: 3-[[2-cyano-3-[3-ethoxy-4-(3-nitrobenzyl)oxy-phenyl]acryloyl]amino]benzoic acid Formula: C26H21N3O7 MolecularWeight: 487.46084

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C=C(C#N)C(=O)NC2=CC=CC(=C2)C(=O)O)OCC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C=CC(=C1)C=C(C#N)C(=O)NC2=CC=CC(=C2)C(=O)O)OCC3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C26H21N3O7/c1-2-35-24-13-17(9-10-23(24)36-16-18-5-3-8-22(12-18)29(33)34)11-20(15-27)25(30)28-21-7-4-6-19(14-21)26(31)32/h3-14H,2,16H2,1H3,(H,28,30)(H,31,32)