(2R)-4-[(4-ethoxy-2-nitro-phenyl)amino]-4-oxidanylidene-2-(propan-2-ylazaniumyl)butanoate

Systemtic Name: (2R)-4-[(4-ethoxy-2-nitro-phenyl)amino]-4-oxidanylidene-2-(propan-2-ylazaniumyl)butanoate Openeye Name: (2R)-4-(4-ethoxy-2-nitro-anilino)-2-(isopropylammonio)-4-oxo-butanoate CAS Name: (2R)-4-(4-ethoxy-2-nitroanilino)-4-oxo-2-(propan-2-ylammonio)butanoate IUPAC Name: (2R)-4-(4-ethoxy-2-nitroanilino)-4-oxo-2-(propan-2-ylazaniumyl)butanoate Traditional Name: (2R)-4-(4-ethoxy-2-nitro-anilino)-2-(isopropylammonio)-4-keto-butyrate Formula: C15H21N3O6 MolecularWeight: 339.34374

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1)NC(=O)CC(C(=O)[O-])[NH2+]C(C)C)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC(=C(C=C1)NC(=O)C[C@H](C(=O)[O-])[NH2+]C(C)C)[N+](=O)[O-]

InChI

InChI=1S/C15H21N3O6/c1-4-24-10-5-6-11(13(7-10)18(22)23)17-14(19)8-12(15(20)21)16-9(2)3/h5-7,9,12,16H,4,8H2,1-3H3,(H,17,19)(H,20,21)/t12-/m1/s1