2-(3-methylbutylamino)-4-[(2-nitrophenyl)amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 2-(3-methylbutylamino)-4-[(2-nitrophenyl)amino]-4-oxidanylidene-butanoic acid Openeye Name: 2-(isopentylamino)-4-(2-nitroanilino)-4-oxo-butanoic acid CAS Name: 2-(3-methylbutylamino)-4-(2-nitroanilino)-4-oxobutanoic acid IUPAC Name: 2-(3-methylbutylamino)-4-(2-nitroanilino)-4-oxobutanoic acid Traditional Name: 2-(isoamylamino)-4-keto-4-(2-nitroanilino)butyric acid Formula: C15H21N3O5 MolecularWeight: 323.34434

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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