3-chloranylpropyl 3,6-bis(azanyl)-2-nitro-benzoate

Systemtic Name: 3-chloranylpropyl 3,6-bis(azanyl)-2-nitro-benzoate Openeye Name: 3-chloropropyl 3,6-diamino-2-nitro-benzoate CAS Name: 3,6-diamino-2-nitrobenzoic acid 3-chloropropyl ester IUPAC Name: 3-chloropropyl 3,6-diamino-2-nitrobenzoate Traditional Name: 3,6-diamino-2-nitro-benzoic acid 3-chloropropyl ester Formula: C10H12ClN3O4 MolecularWeight: 273.67298

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1N)C(=O)OCCCCl)[N+](=O)[O-])N

Isomeric SMILES

C1=CC(=C(C(=C1N)C(=O)OCCCCl)[N+](=O)[O-])N

InChI

InChI=1S/C10H12ClN3O4/c11-4-1-5-18-10(15)8-6(12)2-3-7(13)9(8)14(16)17/h2-3H,1,4-5,12-13H2