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

Systemtic Name: 2-(3-methylbutylazaniumyl)-4-[(3-nitrophenyl)amino]-4-oxidanylidene-butanoate Openeye Name: 2-(isopentylammonio)-4-(3-nitroanilino)-4-oxo-butanoate CAS Name: 2-(3-methylbutylammonio)-4-(3-nitroanilino)-4-oxobutanoate IUPAC Name: 2-(3-methylbutylazaniumyl)-4-(3-nitroanilino)-4-oxobutanoate Traditional Name: 2-(isoamylammonio)-4-keto-4-(3-nitroanilino)butyrate Formula: C15H21N3O5 MolecularWeight: 323.34434

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21N3O5/c1-10(2)6-7-16-13(15(20)21)9-14(19)17-11-4-3-5-12(8-11)18(22)23/h3-5,8,10,13,16H,6-7,9H2,1-2H3,(H,17,19)(H,20,21)