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

Systemtic Name: 4-[(2-methoxy-5-nitro-phenyl)amino]-2-(3-methoxypropylamino)-4-oxidanylidene-butanoic acid Openeye Name: 4-(2-methoxy-5-nitro-anilino)-2-(3-methoxypropylamino)-4-oxo-butanoic acid CAS Name: 4-(2-methoxy-5-nitroanilino)-2-(3-methoxypropylamino)-4-oxobutanoic acid IUPAC Name: 4-(2-methoxy-5-nitroanilino)-2-(3-methoxypropylamino)-4-oxobutanoic acid Traditional Name: 4-keto-4-(2-methoxy-5-nitro-anilino)-2-(3-methoxypropylamino)butyric acid Formula: C15H21N3O7 MolecularWeight: 355.34314

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21N3O7/c1-24-7-3-6-16-12(15(20)21)9-14(19)17-11-8-10(18(22)23)4-5-13(11)25-2/h4-5,8,12,16H,3,6-7,9H2,1-2H3,(H,17,19)(H,20,21)