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

Systemtic Name: (2R)-2-(dimethylazaniumyl)-4-[(4-ethoxy-2-nitro-phenyl)amino]-4-oxidanylidene-butanoate Openeye Name: (2R)-2-(dimethylammonio)-4-(4-ethoxy-2-nitro-anilino)-4-oxo-butanoate CAS Name: (2R)-2-(dimethylammonio)-4-(4-ethoxy-2-nitroanilino)-4-oxobutanoate IUPAC Name: (2R)-2-(dimethylazaniumyl)-4-(4-ethoxy-2-nitroanilino)-4-oxobutanoate Traditional Name: (2R)-2-(dimethylammonio)-4-(4-ethoxy-2-nitro-anilino)-4-keto-butyrate Formula: C14H19N3O6 MolecularWeight: 325.31716

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19N3O6/c1-4-23-9-5-6-10(11(7-9)17(21)22)15-13(18)8-12(14(19)20)16(2)3/h5-7,12H,4,8H2,1-3H3,(H,15,18)(H,19,20)/t12-/m1/s1