[4-[[1-(3-bromophenyl)-3-methylidene-5-oxidanylidene-pyrazolidin-4-ylidene]methyl]-2-methoxy-phenyl] propanoate

Systemtic Name: [4-[[1-(3-bromophenyl)-3-methylidene-5-oxidanylidene-pyrazolidin-4-ylidene]methyl]-2-methoxy-phenyl] propanoate Openeye Name: [4-[[1-(3-bromophenyl)-3-methylene-5-oxo-pyrazolidin-4-ylidene]methyl]-2-methoxy-phenyl] propanoate CAS Name: propanoic acid [4-[[1-(3-bromophenyl)-3-methylene-5-oxo-4-pyrazolidinylidene]methyl]-2-methoxyphenyl] ester IUPAC Name: [4-[[1-(3-bromophenyl)-3-methylidene-5-oxopyrazolidin-4-ylidene]methyl]-2-methoxyphenyl] propanoate Traditional Name: propionic acid [4-[[1-(3-bromophenyl)-5-keto-3-methylene-pyrazolidin-4-ylidene]methyl]-2-methoxy-phenyl] ester Formula: C21H19BrN2O4 MolecularWeight: 443.29056

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)OC1=C(C=C(C=C1)C=C2C(=C)NN(C2=O)C3=CC(=CC=C3)Br)OC

Isomeric SMILES

CCC(=O)OC1=C(C=C(C=C1)C=C2C(=C)NN(C2=O)C3=CC(=CC=C3)Br)OC

InChI

InChI=1S/C21H19BrN2O4/c1-4-20(25)28-18-9-8-14(11-19(18)27-3)10-17-13(2)23-24(21(17)26)16-7-5-6-15(22)12-16/h5-12,23H,2,4H2,1,3H3