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

Systemtic Name: 4-[(2-chloranyl-5-nitro-phenyl)amino]-4-oxidanylidene-2-(pyridin-2-ylmethylamino)butanoic acid Openeye Name: 4-(2-chloro-5-nitro-anilino)-4-oxo-2-(2-pyridylmethylamino)butanoic acid CAS Name: 4-(2-chloro-5-nitroanilino)-4-oxo-2-(2-pyridinylmethylamino)butanoic acid IUPAC Name: 4-(2-chloro-5-nitroanilino)-4-oxo-2-(pyridin-2-ylmethylamino)butanoic acid Traditional Name: 4-(2-chloro-5-nitro-anilino)-4-keto-2-(2-pyridylmethylamino)butyric acid Formula: C16H15ClN4O5 MolecularWeight: 378.7671

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)CNC(CC(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])Cl)C(=O)O

Isomeric SMILES

C1=CC=NC(=C1)CNC(CC(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])Cl)C(=O)O

InChI

InChI=1S/C16H15ClN4O5/c17-12-5-4-11(21(25)26)7-13(12)20-15(22)8-14(16(23)24)19-9-10-3-1-2-6-18-10/h1-7,14,19H,8-9H2,(H,20,22)(H,23,24)