3-[(2,4-dinitrophenyl)amino]-3-(furan-2-yl)propanoic acid

Systemtic Name: 3-[(2,4-dinitrophenyl)amino]-3-(furan-2-yl)propanoic acid Openeye Name: 3-(2,4-dinitroanilino)-3-(2-furyl)propanoic acid CAS Name: 3-(2,4-dinitroanilino)-3-(2-furanyl)propanoic acid IUPAC Name: 3-(2,4-dinitroanilino)-3-(furan-2-yl)propanoic acid Traditional Name: 3-(2,4-dinitroanilino)-3-(2-furyl)propionic acid Formula: C13H11N3O7 MolecularWeight: 321.24234

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H11N3O7/c17-13(18)7-10(12-2-1-5-23-12)14-9-4-3-8(15(19)20)6-11(9)16(21)22/h1-6,10,14H,7H2,(H,17,18)