[3-cyano-3-(1,3-dimethylbenzimidazol-2-ylidene)-2-oxidanylidene-propyl] (E)-3-(5-chloranyl-1,3-dimethyl-pyrazol-4-yl)prop-2-enoate

Systemtic Name: [3-cyano-3-(1,3-dimethylbenzimidazol-2-ylidene)-2-oxidanylidene-propyl] (E)-3-(5-chloranyl-1,3-dimethyl-pyrazol-4-yl)prop-2-enoate Openeye Name: [3-cyano-3-(1,3-dimethylbenzimidazol-2-ylidene)-2-oxo-propyl] (E)-3-(5-chloro-1,3-dimethyl-pyrazol-4-yl)prop-2-enoate CAS Name: (E)-3-(5-chloro-1,3-dimethyl-4-pyrazolyl)-2-propenoic acid [3-cyano-3-(1,3-dimethyl-2-benzimidazolylidene)-2-oxopropyl] ester IUPAC Name: [3-cyano-3-(1,3-dimethylbenzimidazol-2-ylidene)-2-oxopropyl] (E)-3-(5-chloro-1,3-dimethylpyrazol-4-yl)prop-2-enoate Traditional Name: (E)-3-(5-chloro-1,3-dimethyl-pyrazol-4-yl)acrylic acid [3-cyano-3-(1,3-dimethylbenzimidazol-2-ylidene)-2-keto-propyl] ester Formula: C21H20ClN5O3 MolecularWeight: 425.8682

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C=CC(=O)OCC(=O)C(=C2N(C3=CC=CC=C3N2C)C)C#N)Cl)C

Isomeric SMILES

CC1=NN(C(=C1/C=C/C(=O)OCC(=O)C(=C2N(C3=CC=CC=C3N2C)C)C#N)Cl)C

InChI

InChI=1S/C21H20ClN5O3/c1-13-14(20(22)27(4)24-13)9-10-19(29)30-12-18(28)15(11-23)21-25(2)16-7-5-6-8-17(16)26(21)3/h5-10H,12H2,1-4H3/b10-9+