2-[[(E)-2-cyano-3-[3-[(4-methoxyphenyl)carbonylamino]phenyl]prop-2-enoyl]amino]benzoate

Systemtic Name: 2-[[(E)-2-cyano-3-[3-[(4-methoxyphenyl)carbonylamino]phenyl]prop-2-enoyl]amino]benzoate Openeye Name: 2-[[(E)-2-cyano-3-[3-[(4-methoxybenzoyl)amino]phenyl]prop-2-enoyl]amino]benzoate CAS Name: 2-[[(E)-2-cyano-3-[3-[[(4-methoxyphenyl)-oxomethyl]amino]phenyl]-1-oxoprop-2-enyl]amino]benzoate IUPAC Name: 2-[[(E)-2-cyano-3-[3-[(4-methoxybenzoyl)amino]phenyl]prop-2-enoyl]amino]benzoate Traditional Name: 2-[[(E)-2-cyano-3-[3-(p-anisoylamino)phenyl]acryloyl]amino]benzoate Formula: C25H18N3O5- MolecularWeight: 440.42752

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)NC2=CC=CC(=C2)C=C(C#N)C(=O)NC3=CC=CC=C3C(=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)NC2=CC=CC(=C2)/C=C(\C#N)/C(=O)NC3=CC=CC=C3C(=O)[O-]

InChI

InChI=1S/C25H19N3O5/c1-33-20-11-9-17(10-12-20)23(29)27-19-6-4-5-16(14-19)13-18(15-26)24(30)28-22-8-3-2-7-21(22)25(31)32/h2-14H,1H3,(H,27,29)(H,28,30)(H,31,32)/p-1/b18-13+