methyl 4-azanyl-5-chloranyl-3-nitro-2-oxidanyl-benzoate

Systemtic Name: methyl 4-azanyl-5-chloranyl-3-nitro-2-oxidanyl-benzoate Openeye Name: methyl 4-amino-5-chloro-2-hydroxy-3-nitro-benzoate CAS Name: 4-amino-5-chloro-2-hydroxy-3-nitrobenzoic acid methyl ester IUPAC Name: methyl 4-amino-5-chloro-2-hydroxy-3-nitrobenzoate Traditional Name: 4-amino-5-chloro-2-hydroxy-3-nitro-benzoic acid methyl ester Formula: C8H7ClN2O5 MolecularWeight: 246.60458

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C(=C1O)[N+](=O)[O-])N)Cl

Isomeric SMILES

COC(=O)C1=CC(=C(C(=C1O)[N+](=O)[O-])N)Cl

InChI

InChI=1S/C8H7ClN2O5/c1-16-8(13)3-2-4(9)5(10)6(7(3)12)11(14)15/h2,12H,10H2,1H3