[(3S)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] (E)-2-cyano-3-[2,5-dimethyl-1-(2-methylphenyl)pyrrol-3-yl]prop-2-enoate

Systemtic Name: [(3S)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] (E)-2-cyano-3-[2,5-dimethyl-1-(2-methylphenyl)pyrrol-3-yl]prop-2-enoate Openeye Name: [(3S)-3-cyano-4-imino-2-oxo-pentyl] (E)-2-cyano-3-[2,5-dimethyl-1-(o-tolyl)pyrrol-3-yl]prop-2-enoate CAS Name: (E)-2-cyano-3-[2,5-dimethyl-1-(2-methylphenyl)-3-pyrrolyl]-2-propenoic acid [(3S)-3-cyano-4-imino-2-oxopentyl] ester IUPAC Name: [(3S)-3-cyano-4-imino-2-oxopentyl] (E)-2-cyano-3-[2,5-dimethyl-1-(2-methylphenyl)pyrrol-3-yl]prop-2-enoate Traditional Name: (E)-2-cyano-3-[2,5-dimethyl-1-(o-tolyl)pyrrol-3-yl]acrylic acid [(3S)-3-cyano-4-imino-2-keto-pentyl] ester Formula: C23H22N4O3 MolecularWeight: 402.44578

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=CC(=C2C)C=C(C#N)C(=O)OCC(=O)C(C#N)C(=N)C)C

Isomeric SMILES

CC1=CC=CC=C1N2C(=CC(=C2C)/C=C(\C#N)/C(=O)OCC(=O)[C@H](C#N)C(=N)C)C

InChI

InChI=1S/C23H22N4O3/c1-14-7-5-6-8-21(14)27-15(2)9-18(17(27)4)10-19(11-24)23(29)30-13-22(28)20(12-25)16(3)26/h5-10,20,26H,13H2,1-4H3/b19-10+,26-16?/t20-/m1/s1