2-(butylamino)-4-[(4-methyl-2-nitro-phenyl)amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 2-(butylamino)-4-[(4-methyl-2-nitro-phenyl)amino]-4-oxidanylidene-butanoic acid Openeye Name: 2-(butylamino)-4-(4-methyl-2-nitro-anilino)-4-oxo-butanoic acid CAS Name: 2-(butylamino)-4-(4-methyl-2-nitroanilino)-4-oxobutanoic acid IUPAC Name: 2-(butylamino)-4-(4-methyl-2-nitroanilino)-4-oxobutanoic acid Traditional Name: 2-(butylamino)-4-keto-4-(4-methyl-2-nitro-anilino)butyric acid Formula: C15H21N3O5 MolecularWeight: 323.34434

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21N3O5/c1-3-4-7-16-12(15(20)21)9-14(19)17-11-6-5-10(2)8-13(11)18(22)23/h5-6,8,12,16H,3-4,7,9H2,1-2H3,(H,17,19)(H,20,21)