2-(2-methylpropylazaniumyl)-4-[(3-nitrophenyl)amino]-4-oxidanylidene-butanoate

Systemtic Name: 2-(2-methylpropylazaniumyl)-4-[(3-nitrophenyl)amino]-4-oxidanylidene-butanoate Openeye Name: 2-(isobutylammonio)-4-(3-nitroanilino)-4-oxo-butanoate CAS Name: 2-(2-methylpropylammonio)-4-(3-nitroanilino)-4-oxobutanoate IUPAC Name: 2-(2-methylpropylazaniumyl)-4-(3-nitroanilino)-4-oxobutanoate Traditional Name: 2-(isobutylammonio)-4-keto-4-(3-nitroanilino)butyrate Formula: C14H19N3O5 MolecularWeight: 309.31776

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19N3O5/c1-9(2)8-15-12(14(19)20)7-13(18)16-10-4-3-5-11(6-10)17(21)22/h3-6,9,12,15H,7-8H2,1-2H3,(H,16,18)(H,19,20)