propyl 4-[[(E)-2-cyano-3-(5-cyano-1,2-dimethyl-pyrrol-3-yl)prop-2-enoyl]amino]benzoate

Systemtic Name: propyl 4-[[(E)-2-cyano-3-(5-cyano-1,2-dimethyl-pyrrol-3-yl)prop-2-enoyl]amino]benzoate Openeye Name: propyl 4-[[(E)-2-cyano-3-(5-cyano-1,2-dimethyl-pyrrol-3-yl)prop-2-enoyl]amino]benzoate CAS Name: 4-[[(E)-2-cyano-3-(5-cyano-1,2-dimethyl-3-pyrrolyl)-1-oxoprop-2-enyl]amino]benzoic acid propyl ester IUPAC Name: propyl 4-[[(E)-2-cyano-3-(5-cyano-1,2-dimethylpyrrol-3-yl)prop-2-enoyl]amino]benzoate Traditional Name: 4-[[(E)-2-cyano-3-(5-cyano-1,2-dimethyl-pyrrol-3-yl)acryloyl]amino]benzoic acid propyl ester Formula: C21H20N4O3 MolecularWeight: 376.4085

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=CC=C(C=C1)NC(=O)C(=CC2=C(N(C(=C2)C#N)C)C)C#N

Isomeric SMILES

CCCOC(=O)C1=CC=C(C=C1)NC(=O)/C(=C/C2=C(N(C(=C2)C#N)C)C)/C#N

InChI

InChI=1S/C21H20N4O3/c1-4-9-28-21(27)15-5-7-18(8-6-15)24-20(26)17(12-22)10-16-11-19(13-23)25(3)14(16)2/h5-8,10-11H,4,9H2,1-3H3,(H,24,26)/b17-10+