4-[(E)-3-(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)prop-2-enoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate

Systemtic Name: 4-[(E)-3-(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)prop-2-enoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate Openeye Name: 4-[(E)-3-(5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)prop-2-enoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate CAS Name: 4-[(E)-3-(5-chloro-3-methyl-1-phenyl-4-pyrazolyl)-1-oxoprop-2-enyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate IUPAC Name: 4-[(E)-3-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)prop-2-enoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate Traditional Name: 4-[(E)-3-(5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)acryloyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate Formula: C20H17ClN3O3- MolecularWeight: 382.82028

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)C=CC2=C(N(N=C2C)C3=CC=CC=C3)Cl)C)C(=O)[O-]

Isomeric SMILES

CC1=C(NC(=C1C(=O)/C=C/C2=C(N(N=C2C)C3=CC=CC=C3)Cl)C)C(=O)[O-]

InChI

InChI=1S/C20H18ClN3O3/c1-11-17(13(3)22-18(11)20(26)27)16(25)10-9-15-12(2)23-24(19(15)21)14-7-5-4-6-8-14/h4-10,22H,1-3H3,(H,26,27)/p-1/b10-9+