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

Systemtic Name: 2-(2-ethylhexylamino)-4-[(4-methyl-2-nitro-phenyl)amino]-4-oxidanylidene-butanoic acid Openeye Name: 2-(2-ethylhexylamino)-4-(4-methyl-2-nitro-anilino)-4-oxo-butanoic acid CAS Name: 2-(2-ethylhexylamino)-4-(4-methyl-2-nitroanilino)-4-oxobutanoic acid IUPAC Name: 2-(2-ethylhexylamino)-4-(4-methyl-2-nitroanilino)-4-oxobutanoic acid Traditional Name: 2-(2-ethylhexylamino)-4-keto-4-(4-methyl-2-nitro-anilino)butyric acid Formula: C19H29N3O5 MolecularWeight: 379.45066

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H29N3O5/c1-4-6-7-14(5-2)12-20-16(19(24)25)11-18(23)21-15-9-8-13(3)10-17(15)22(26)27/h8-10,14,16,20H,4-7,11-12H2,1-3H3,(H,21,23)(H,24,25)