2-(hexylamino)-4-[(2-methoxy-4-nitro-phenyl)amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 2-(hexylamino)-4-[(2-methoxy-4-nitro-phenyl)amino]-4-oxidanylidene-butanoic acid Openeye Name: 2-(hexylamino)-4-(2-methoxy-4-nitro-anilino)-4-oxo-butanoic acid CAS Name: 2-(hexylamino)-4-(2-methoxy-4-nitroanilino)-4-oxobutanoic acid IUPAC Name: 2-(hexylamino)-4-(2-methoxy-4-nitroanilino)-4-oxobutanoic acid Traditional Name: 2-(hexylamino)-4-keto-4-(2-methoxy-4-nitro-anilino)butyric acid Formula: C17H25N3O6 MolecularWeight: 367.3969

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25N3O6/c1-3-4-5-6-9-18-14(17(22)23)11-16(21)19-13-8-7-12(20(24)25)10-15(13)26-2/h7-8,10,14,18H,3-6,9,11H2,1-2H3,(H,19,21)(H,22,23)