(2R)-4-[(4-chloranyl-3-nitro-phenyl)amino]-2-(2-dimethylaminoethylazaniumyl)-4-oxidanylidene-butanoate

Systemtic Name: (2R)-4-[(4-chloranyl-3-nitro-phenyl)amino]-2-(2-dimethylaminoethylazaniumyl)-4-oxidanylidene-butanoate Openeye Name: (2R)-4-(4-chloro-3-nitro-anilino)-2-(2-dimethylaminoethylammonio)-4-oxo-butanoate CAS Name: (2R)-4-(4-chloro-3-nitroanilino)-2-(2-dimethylaminoethylammonio)-4-oxobutanoate IUPAC Name: (2R)-4-(4-chloro-3-nitroanilino)-2-(2-dimethylaminoethylazaniumyl)-4-oxobutanoate Traditional Name: (2R)-4-(4-chloro-3-nitro-anilino)-2-(2-dimethylaminoethylammonio)-4-keto-butyrate Formula: C14H19ClN4O5 MolecularWeight: 358.77746

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC[NH2+]C(CC(=O)NC1=CC(=C(C=C1)Cl)[N+](=O)[O-])C(=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C14H19ClN4O5/c1-18(2)6-5-16-11(14(21)22)8-13(20)17-9-3-4-10(15)12(7-9)19(23)24/h3-4,7,11,16H,5-6,8H2,1-2H3,(H,17,20)(H,21,22)/t11-/m1/s1