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

Systemtic Name: 4-[(2-chloranyl-5-nitro-phenyl)amino]-4-oxidanylidene-2-piperazin-1-yl-butanoic acid Openeye Name: 4-(2-chloro-5-nitro-anilino)-4-oxo-2-piperazin-1-yl-butanoic acid CAS Name: 4-(2-chloro-5-nitroanilino)-4-oxo-2-(1-piperazinyl)butanoic acid IUPAC Name: 4-(2-chloro-5-nitroanilino)-4-oxo-2-piperazin-1-ylbutanoic acid Traditional Name: 4-(2-chloro-5-nitro-anilino)-4-keto-2-piperazino-butyric acid Formula: C14H17ClN4O5 MolecularWeight: 356.76158

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C(CC(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])Cl)C(=O)O

Isomeric SMILES

C1CN(CCN1)C(CC(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])Cl)C(=O)O

InChI

InChI=1S/C14H17ClN4O5/c15-10-2-1-9(19(23)24)7-11(10)17-13(20)8-12(14(21)22)18-5-3-16-4-6-18/h1-2,7,12,16H,3-6,8H2,(H,17,20)(H,21,22)