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

Systemtic Name: 3-[[2-cyano-3-[3-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]prop-2-enoyl]amino]benzoic acid Openeye Name: 3-[[2-cyano-3-[3-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]prop-2-enoyl]amino]benzoic acid CAS Name: 3-[[2-cyano-3-[3-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]-1-oxoprop-2-enyl]amino]benzoic acid IUPAC Name: 3-[[2-cyano-3-[3-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]prop-2-enoyl]amino]benzoic acid Traditional Name: 3-[[2-cyano-3-[3-methoxy-4-(4-nitrobenzyl)oxy-phenyl]acryloyl]amino]benzoic acid Formula: C25H19N3O7 MolecularWeight: 473.43426

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=C(C#N)C(=O)NC2=CC=CC(=C2)C(=O)O)OCC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=CC(=C1)C=C(C#N)C(=O)NC2=CC=CC(=C2)C(=O)O)OCC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C25H19N3O7/c1-34-23-12-17(7-10-22(23)35-15-16-5-8-21(9-6-16)28(32)33)11-19(14-26)24(29)27-20-4-2-3-18(13-20)25(30)31/h2-13H,15H2,1H3,(H,27,29)(H,30,31)