2-[(3,5-dinitrothiophen-2-yl)amino]-3-phenyl-propanoic acid

Systemtic Name: 2-[(3,5-dinitrothiophen-2-yl)amino]-3-phenyl-propanoic acid Openeye Name: 2-[(3,5-dinitro-2-thienyl)amino]-3-phenyl-propanoic acid CAS Name: 2-[(3,5-dinitro-2-thiophenyl)amino]-3-phenylpropanoic acid IUPAC Name: 2-[(3,5-dinitrothiophen-2-yl)amino]-3-phenylpropanoic acid Traditional Name: 2-[(3,5-dinitro-2-thienyl)amino]-3-phenyl-propionic acid Formula: C13H11N3O6S MolecularWeight: 337.30794

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)O)NC2=C(C=C(S2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CC(C(=O)O)NC2=C(C=C(S2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C13H11N3O6S/c17-13(18)9(6-8-4-2-1-3-5-8)14-12-10(15(19)20)7-11(23-12)16(21)22/h1-5,7,9,14H,6H2,(H,17,18)