4-[(2-chloranyl-5-nitro-phenyl)amino]-4-oxidanylidene-2-(1-phenylethylamino)butanoic acid

Systemtic Name: 4-[(2-chloranyl-5-nitro-phenyl)amino]-4-oxidanylidene-2-(1-phenylethylamino)butanoic acid Openeye Name: 4-(2-chloro-5-nitro-anilino)-4-oxo-2-(1-phenylethylamino)butanoic acid CAS Name: 4-(2-chloro-5-nitroanilino)-4-oxo-2-(1-phenylethylamino)butanoic acid IUPAC Name: 4-(2-chloro-5-nitroanilino)-4-oxo-2-(1-phenylethylamino)butanoic acid Traditional Name: 4-(2-chloro-5-nitro-anilino)-4-keto-2-(1-phenylethylamino)butyric acid Formula: C18H18ClN3O5 MolecularWeight: 391.80562

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18ClN3O5/c1-11(12-5-3-2-4-6-12)20-16(18(24)25)10-17(23)21-15-9-13(22(26)27)7-8-14(15)19/h2-9,11,16,20H,10H2,1H3,(H,21,23)(H,24,25)