4-[(2-chloranyl-5-nitro-phenyl)amino]-2-(3-methoxypropylamino)-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[(2-chloranyl-5-nitro-phenyl)amino]-2-(3-methoxypropylamino)-4-oxidanylidene-butanoic acid Openeye Name: 4-(2-chloro-5-nitro-anilino)-2-(3-methoxypropylamino)-4-oxo-butanoic acid CAS Name: 4-(2-chloro-5-nitroanilino)-2-(3-methoxypropylamino)-4-oxobutanoic acid IUPAC Name: 4-(2-chloro-5-nitroanilino)-2-(3-methoxypropylamino)-4-oxobutanoic acid Traditional Name: 4-(2-chloro-5-nitro-anilino)-4-keto-2-(3-methoxypropylamino)butyric acid Formula: C14H18ClN3O6 MolecularWeight: 359.76222

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18ClN3O6/c1-24-6-2-5-16-12(14(20)21)8-13(19)17-11-7-9(18(22)23)3-4-10(11)15/h3-4,7,12,16H,2,5-6,8H2,1H3,(H,17,19)(H,20,21)