methyl 3-[[(E)-3-(1-butyl-5-chloranyl-3-methyl-pyrazol-4-yl)prop-2-enoyl]amino]-4-chloranyl-benzoate

Systemtic Name: methyl 3-[[(E)-3-(1-butyl-5-chloranyl-3-methyl-pyrazol-4-yl)prop-2-enoyl]amino]-4-chloranyl-benzoate Openeye Name: methyl 3-[[(E)-3-(1-butyl-5-chloro-3-methyl-pyrazol-4-yl)prop-2-enoyl]amino]-4-chloro-benzoate CAS Name: 3-[[(E)-3-(1-butyl-5-chloro-3-methyl-4-pyrazolyl)-1-oxoprop-2-enyl]amino]-4-chlorobenzoic acid methyl ester IUPAC Name: methyl 3-[[(E)-3-(1-butyl-5-chloro-3-methylpyrazol-4-yl)prop-2-enoyl]amino]-4-chlorobenzoate Traditional Name: 3-[[(E)-3-(1-butyl-5-chloro-3-methyl-pyrazol-4-yl)acryloyl]amino]-4-chloro-benzoic acid methyl ester Formula: C19H21Cl2N3O3 MolecularWeight: 410.29434

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(=N1)C)C=CC(=O)NC2=C(C=CC(=C2)C(=O)OC)Cl)Cl

Isomeric SMILES

CCCCN1C(=C(C(=N1)C)/C=C/C(=O)NC2=C(C=CC(=C2)C(=O)OC)Cl)Cl

InChI

InChI=1S/C19H21Cl2N3O3/c1-4-5-10-24-18(21)14(12(2)23-24)7-9-17(25)22-16-11-13(19(26)27-3)6-8-15(16)20/h6-9,11H,4-5,10H2,1-3H3,(H,22,25)/b9-7+