(E)-2-(3-cyclopentylpropanoylamino)-3-[4-(2-nitrophenoxy)phenyl]prop-2-enoic acid

Systemtic Name: (E)-2-(3-cyclopentylpropanoylamino)-3-[4-(2-nitrophenoxy)phenyl]prop-2-enoic acid Openeye Name: (E)-2-(3-cyclopentylpropanoylamino)-3-[4-(2-nitrophenoxy)phenyl]prop-2-enoic acid CAS Name: (E)-2-[(3-cyclopentyl-1-oxopropyl)amino]-3-[4-(2-nitrophenoxy)phenyl]-2-propenoic acid IUPAC Name: (E)-2-(3-cyclopentylpropanoylamino)-3-[4-(2-nitrophenoxy)phenyl]prop-2-enoic acid Traditional Name: (E)-2-(3-cyclopentylpropanoylamino)-3-[4-(2-nitrophenoxy)phenyl]acrylic acid Formula: C23H24N2O6 MolecularWeight: 424.44646

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)CCC(=O)NC(=CC2=CC=C(C=C2)OC3=CC=CC=C3[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1CCC(C1)CCC(=O)N/C(=C/C2=CC=C(C=C2)OC3=CC=CC=C3[N+](=O)[O-])/C(=O)O

InChI

InChI=1S/C23H24N2O6/c26-22(14-11-16-5-1-2-6-16)24-19(23(27)28)15-17-9-12-18(13-10-17)31-21-8-4-3-7-20(21)25(29)30/h3-4,7-10,12-13,15-16H,1-2,5-6,11,14H2,(H,24,26)(H,27,28)/b19-15+