(2R)-4-[(3-nitrophenyl)amino]-4-oxidanylidene-2-[[(2R)-oxolan-2-yl]methylazaniumyl]butanoate

Systemtic Name: (2R)-4-[(3-nitrophenyl)amino]-4-oxidanylidene-2-[[(2R)-oxolan-2-yl]methylazaniumyl]butanoate Openeye Name: (2R)-4-(3-nitroanilino)-4-oxo-2-[[(2R)-tetrahydrofuran-2-yl]methylammonio]butanoate CAS Name: (2R)-4-(3-nitroanilino)-4-oxo-2-[[(2R)-2-oxolanyl]methylammonio]butanoate IUPAC Name: (2R)-4-(3-nitroanilino)-4-oxo-2-[[(2R)-oxolan-2-yl]methylazaniumyl]butanoate Traditional Name: (2R)-4-keto-4-(3-nitroanilino)-2-[[(2R)-tetrahydrofuran-2-yl]methylammonio]butyrate Formula: C15H19N3O6 MolecularWeight: 337.32786

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)C[NH2+]C(CC(=O)NC2=CC(=CC=C2)[N+](=O)[O-])C(=O)[O-]

Isomeric SMILES

C1C[C@@H](OC1)C[NH2+][C@H](CC(=O)NC2=CC(=CC=C2)[N+](=O)[O-])C(=O)[O-]

InChI

InChI=1S/C15H19N3O6/c19-14(17-10-3-1-4-11(7-10)18(22)23)8-13(15(20)21)16-9-12-5-2-6-24-12/h1,3-4,7,12-13,16H,2,5-6,8-9H2,(H,17,19)(H,20,21)/t12-,13-/m1/s1