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

Systemtic Name: 2-(diethylamino)-4-[(2-methoxy-5-nitro-phenyl)amino]-4-oxidanylidene-butanoic acid Openeye Name: 2-(diethylamino)-4-(2-methoxy-5-nitro-anilino)-4-oxo-butanoic acid CAS Name: 2-(diethylamino)-4-(2-methoxy-5-nitroanilino)-4-oxobutanoic acid IUPAC Name: 2-(diethylamino)-4-(2-methoxy-5-nitroanilino)-4-oxobutanoic acid Traditional Name: 2-(diethylamino)-4-keto-4-(2-methoxy-5-nitro-anilino)butyric acid Formula: C15H21N3O6 MolecularWeight: 339.34374

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21N3O6/c1-4-17(5-2)12(15(20)21)9-14(19)16-11-8-10(18(22)23)6-7-13(11)24-3/h6-8,12H,4-5,9H2,1-3H3,(H,16,19)(H,20,21)