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

Systemtic Name: 4-[(2-chloranyl-5-nitro-phenyl)amino]-2-(cyclopentylamino)-4-oxidanylidene-butanoic acid Openeye Name: 4-(2-chloro-5-nitro-anilino)-2-(cyclopentylamino)-4-oxo-butanoic acid CAS Name: 4-(2-chloro-5-nitroanilino)-2-(cyclopentylamino)-4-oxobutanoic acid IUPAC Name: 4-(2-chloro-5-nitroanilino)-2-(cyclopentylamino)-4-oxobutanoic acid Traditional Name: 4-(2-chloro-5-nitro-anilino)-2-(cyclopentylamino)-4-keto-butyric acid Formula: C15H18ClN3O5 MolecularWeight: 355.77352

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)NC(CC(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])Cl)C(=O)O

Isomeric SMILES

C1CCC(C1)NC(CC(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])Cl)C(=O)O

InChI

InChI=1S/C15H18ClN3O5/c16-11-6-5-10(19(23)24)7-12(11)18-14(20)8-13(15(21)22)17-9-3-1-2-4-9/h5-7,9,13,17H,1-4,8H2,(H,18,20)(H,21,22)