(3R)-3-(furan-2-ylmethylazaniumyl)-4-[(4-nitrophenyl)amino]-4-oxidanylidene-butanoate

Systemtic Name: (3R)-3-(furan-2-ylmethylazaniumyl)-4-[(4-nitrophenyl)amino]-4-oxidanylidene-butanoate Openeye Name: (3R)-3-(2-furylmethylammonio)-4-(4-nitroanilino)-4-oxo-butanoate CAS Name: (3R)-3-(2-furanylmethylammonio)-4-(4-nitroanilino)-4-oxobutanoate IUPAC Name: (3R)-3-(furan-2-ylmethylazaniumyl)-4-(4-nitroanilino)-4-oxobutanoate Traditional Name: (3R)-3-(2-furfurylammonio)-4-keto-4-(4-nitroanilino)butyrate Formula: C15H15N3O6 MolecularWeight: 333.2961

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=COC(=C1)C[NH2+]C(CC(=O)[O-])C(=O)NC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C1=COC(=C1)C[NH2+][C@H](CC(=O)[O-])C(=O)NC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C15H15N3O6/c19-14(20)8-13(16-9-12-2-1-7-24-12)15(21)17-10-3-5-11(6-4-10)18(22)23/h1-7,13,16H,8-9H2,(H,17,21)(H,19,20)/t13-/m1/s1