6-[(5R)-5-(4-bromophenyl)-1-ethanoyl-pyrazolidin-3-ylidene]-3-methoxy-cyclohexa-2,4-dien-1-one

Systemtic Name: 6-[(5R)-5-(4-bromophenyl)-1-ethanoyl-pyrazolidin-3-ylidene]-3-methoxy-cyclohexa-2,4-dien-1-one Openeye Name: 6-[(5R)-1-acetyl-5-(4-bromophenyl)pyrazolidin-3-ylidene]-3-methoxy-cyclohexa-2,4-dien-1-one CAS Name: 6-[(5R)-1-acetyl-5-(4-bromophenyl)-3-pyrazolidinylidene]-3-methoxy-1-cyclohexa-2,4-dienone IUPAC Name: 6-[(5R)-1-acetyl-5-(4-bromophenyl)pyrazolidin-3-ylidene]-3-methoxycyclohexa-2,4-dien-1-one Traditional Name: 6-[(5R)-1-acetyl-5-(4-bromophenyl)pyrazolidin-3-ylidene]-3-methoxy-cyclohexa-2,4-dien-1-one Formula: C18H17BrN2O3 MolecularWeight: 389.24318

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C(CC(=C2C=CC(=CC2=O)OC)N1)C3=CC=C(C=C3)Br

Isomeric SMILES

CC(=O)N1[C@H](CC(=C2C=CC(=CC2=O)OC)N1)C3=CC=C(C=C3)Br

InChI

InChI=1S/C18H17BrN2O3/c1-11(22)21-17(12-3-5-13(19)6-4-12)10-16(20-21)15-8-7-14(24-2)9-18(15)23/h3-9,17,20H,10H2,1-2H3/t17-/m1/s1