(2R)-2-[2-(dimethylazaniumyl)ethylazaniumyl]-4-[(2-methoxy-5-nitro-phenyl)amino]-4-oxidanylidene-butanoate

Systemtic Name: (2R)-2-[2-(dimethylazaniumyl)ethylazaniumyl]-4-[(2-methoxy-5-nitro-phenyl)amino]-4-oxidanylidene-butanoate Openeye Name: (2R)-2-[2-(dimethylammonio)ethylammonio]-4-(2-methoxy-5-nitro-anilino)-4-oxo-butanoate CAS Name: (2R)-2-[2-(dimethylammonio)ethylammonio]-4-(2-methoxy-5-nitroanilino)-4-oxobutanoate IUPAC Name: (2R)-2-[2-(dimethylazaniumyl)ethylazaniumyl]-4-(2-methoxy-5-nitroanilino)-4-oxobutanoate Traditional Name: (2R)-2-[2-(dimethylammonio)ethylammonio]-4-keto-4-(2-methoxy-5-nitro-anilino)butyrate Formula: C15H23N4O6+ MolecularWeight: 355.36632

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CC[NH2+]C(CC(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])OC)C(=O)[O-]

Isomeric SMILES

C[NH+](C)CC[NH2+][C@H](CC(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])OC)C(=O)[O-]

InChI

InChI=1S/C15H22N4O6/c1-18(2)7-6-16-12(15(21)22)9-14(20)17-11-8-10(19(23)24)4-5-13(11)25-3/h4-5,8,12,16H,6-7,9H2,1-3H3,(H,17,20)(H,21,22)/p+1/t12-/m1/s1