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

Systemtic Name: (2R)-2-(diethylazaniumyl)-4-[(4-ethoxy-2-nitro-phenyl)amino]-4-oxidanylidene-butanoate Openeye Name: (2R)-2-(diethylammonio)-4-(4-ethoxy-2-nitro-anilino)-4-oxo-butanoate CAS Name: (2R)-2-(diethylammonio)-4-(4-ethoxy-2-nitroanilino)-4-oxobutanoate IUPAC Name: (2R)-2-(diethylazaniumyl)-4-(4-ethoxy-2-nitroanilino)-4-oxobutanoate Traditional Name: (2R)-2-(diethylammonio)-4-(4-ethoxy-2-nitro-anilino)-4-keto-butyrate Formula: C16H23N3O6 MolecularWeight: 353.37032

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)C(CC(=O)NC1=C(C=C(C=C1)OCC)[N+](=O)[O-])C(=O)[O-]

Isomeric SMILES

CC[NH+](CC)[C@H](CC(=O)NC1=C(C=C(C=C1)OCC)[N+](=O)[O-])C(=O)[O-]

InChI

InChI=1S/C16H23N3O6/c1-4-18(5-2)14(16(21)22)10-15(20)17-12-8-7-11(25-6-3)9-13(12)19(23)24/h7-9,14H,4-6,10H2,1-3H3,(H,17,20)(H,21,22)/t14-/m1/s1