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

Systemtic Name: 4-[(2-chloranyl-5-nitro-phenyl)amino]-4-oxidanylidene-2-(pentylamino)butanoic acid Openeye Name: 4-(2-chloro-5-nitro-anilino)-4-oxo-2-(pentylamino)butanoic acid CAS Name: 4-(2-chloro-5-nitroanilino)-4-oxo-2-(pentylamino)butanoic acid IUPAC Name: 4-(2-chloro-5-nitroanilino)-4-oxo-2-(pentylamino)butanoic acid Traditional Name: 2-(amylamino)-4-(2-chloro-5-nitro-anilino)-4-keto-butyric acid Formula: C15H20ClN3O5 MolecularWeight: 357.7894

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H20ClN3O5/c1-2-3-4-7-17-13(15(21)22)9-14(20)18-12-8-10(19(23)24)5-6-11(12)16/h5-6,8,13,17H,2-4,7,9H2,1H3,(H,18,20)(H,21,22)