2-[2-nitro-4-[(E)-3-oxidanylidene-3-(3-piperazin-1-ylphenyl)prop-1-enyl]phenoxy]ethanoic acid

Systemtic Name: 2-[2-nitro-4-[(E)-3-oxidanylidene-3-(3-piperazin-1-ylphenyl)prop-1-enyl]phenoxy]ethanoic acid Openeye Name: 2-[2-nitro-4-[(E)-3-oxo-3-(3-piperazin-1-ylphenyl)prop-1-enyl]phenoxy]acetic acid CAS Name: 2-[2-nitro-4-[(E)-3-oxo-3-[3-(1-piperazinyl)phenyl]prop-1-enyl]phenoxy]acetic acid IUPAC Name: 2-[2-nitro-4-[(E)-3-oxo-3-(3-piperazin-1-ylphenyl)prop-1-enyl]phenoxy]acetic acid Traditional Name: 2-[4-[(E)-3-keto-3-(3-piperazinophenyl)prop-1-enyl]-2-nitro-phenoxy]acetic acid Formula: C21H21N3O6 MolecularWeight: 411.40794

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C2=CC=CC(=C2)C(=O)C=CC3=CC(=C(C=C3)OCC(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1)C2=CC=CC(=C2)C(=O)/C=C/C3=CC(=C(C=C3)OCC(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C21H21N3O6/c25-19(16-2-1-3-17(13-16)23-10-8-22-9-11-23)6-4-15-5-7-20(30-14-21(26)27)18(12-15)24(28)29/h1-7,12-13,22H,8-11,14H2,(H,26,27)/b6-4+