4-[(2-chloranyl-5-nitro-phenyl)amino]-2-(2-ethylhexylamino)-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[(2-chloranyl-5-nitro-phenyl)amino]-2-(2-ethylhexylamino)-4-oxidanylidene-butanoic acid Openeye Name: 4-(2-chloro-5-nitro-anilino)-2-(2-ethylhexylamino)-4-oxo-butanoic acid CAS Name: 4-(2-chloro-5-nitroanilino)-2-(2-ethylhexylamino)-4-oxobutanoic acid IUPAC Name: 4-(2-chloro-5-nitroanilino)-2-(2-ethylhexylamino)-4-oxobutanoic acid Traditional Name: 4-(2-chloro-5-nitro-anilino)-2-(2-ethylhexylamino)-4-keto-butyric acid Formula: C18H26ClN3O5 MolecularWeight: 399.86914

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H26ClN3O5/c1-3-5-6-12(4-2)11-20-16(18(24)25)10-17(23)21-15-9-13(22(26)27)7-8-14(15)19/h7-9,12,16,20H,3-6,10-11H2,1-2H3,(H,21,23)(H,24,25)