methyl 2-[[2-cyano-3-(3-phenyl-2,1-benzoxazol-5-yl)prop-2-enoyl]amino]benzoate

Systemtic Name: methyl 2-[[2-cyano-3-(3-phenyl-2,1-benzoxazol-5-yl)prop-2-enoyl]amino]benzoate Openeye Name: methyl 2-[[2-cyano-3-(3-phenyl-2,1-benzoxazol-5-yl)prop-2-enoyl]amino]benzoate CAS Name: 2-[[2-cyano-1-oxo-3-(3-phenyl-2,1-benzoxazol-5-yl)prop-2-enyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[2-cyano-3-(3-phenyl-2,1-benzoxazol-5-yl)prop-2-enoyl]amino]benzoate Traditional Name: 2-[[2-cyano-3-(3-phenylanthranil-5-yl)acryloyl]amino]benzoic acid methyl ester Formula: C25H17N3O4 MolecularWeight: 423.42018

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1NC(=O)C(=CC2=CC3=C(ON=C3C=C2)C4=CC=CC=C4)C#N

Isomeric SMILES

COC(=O)C1=CC=CC=C1NC(=O)C(=CC2=CC3=C(ON=C3C=C2)C4=CC=CC=C4)C#N

InChI

InChI=1S/C25H17N3O4/c1-31-25(30)19-9-5-6-10-21(19)27-24(29)18(15-26)13-16-11-12-22-20(14-16)23(32-28-22)17-7-3-2-4-8-17/h2-14H,1H3,(H,27,29)