6-[(4-chloranyl-3-nitro-phenyl)amino]-6-oxidanylidene-hexanoic acid

Systemtic Name: 6-[(4-chloranyl-3-nitro-phenyl)amino]-6-oxidanylidene-hexanoic acid Openeye Name: 6-(4-chloro-3-nitro-anilino)-6-oxo-hexanoic acid CAS Name: 6-(4-chloro-3-nitroanilino)-6-oxohexanoic acid IUPAC Name: 6-(4-chloro-3-nitroanilino)-6-oxohexanoic acid Traditional Name: 6-(4-chloro-3-nitro-anilino)-6-keto-hexanoic acid Formula: C12H13ClN2O5 MolecularWeight: 300.69502

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1NC(=O)CCCCC(=O)O)[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC(=C(C=C1NC(=O)CCCCC(=O)O)[N+](=O)[O-])Cl

InChI

InChI=1S/C12H13ClN2O5/c13-9-6-5-8(7-10(9)15(19)20)14-11(16)3-1-2-4-12(17)18/h5-7H,1-4H2,(H,14,16)(H,17,18)