4-[4-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]amino]pyrazol-1-yl]butanoic acid

Systemtic Name: 4-[4-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]amino]pyrazol-1-yl]butanoic acid Openeye Name: 4-[4-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]amino]pyrazol-1-yl]butanoic acid CAS Name: 4-[4-[[(E)-3-(3-nitrophenyl)-1-oxoprop-2-enyl]amino]-1-pyrazolyl]butanoic acid IUPAC Name: 4-[4-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]amino]pyrazol-1-yl]butanoic acid Traditional Name: 4-[4-[[(E)-3-(3-nitrophenyl)acryloyl]amino]pyrazol-1-yl]butyric acid Formula: C16H16N4O5 MolecularWeight: 344.32204

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])C=CC(=O)NC2=CN(N=C2)CCCC(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])/C=C/C(=O)NC2=CN(N=C2)CCCC(=O)O

InChI

InChI=1S/C16H16N4O5/c21-15(7-6-12-3-1-4-14(9-12)20(24)25)18-13-10-17-19(11-13)8-2-5-16(22)23/h1,3-4,6-7,9-11H,2,5,8H2,(H,18,21)(H,22,23)/b7-6+