(2R)-2-(butylazaniumyl)-4-[(2-nitrophenyl)amino]-4-oxidanylidene-butanoate

Systemtic Name: (2R)-2-(butylazaniumyl)-4-[(2-nitrophenyl)amino]-4-oxidanylidene-butanoate Openeye Name: (2R)-2-(butylammonio)-4-(2-nitroanilino)-4-oxo-butanoate CAS Name: (2R)-2-(butylammonio)-4-(2-nitroanilino)-4-oxobutanoate IUPAC Name: (2R)-2-(butylazaniumyl)-4-(2-nitroanilino)-4-oxobutanoate Traditional Name: (2R)-2-(butylammonio)-4-keto-4-(2-nitroanilino)butyrate Formula: C14H19N3O5 MolecularWeight: 309.31776

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19N3O5/c1-2-3-8-15-11(14(19)20)9-13(18)16-10-6-4-5-7-12(10)17(21)22/h4-7,11,15H,2-3,8-9H2,1H3,(H,16,18)(H,19,20)/t11-/m1/s1