3-chloranylpropyl 2,5-bis(azanyl)-3-methyl-6-nitro-benzoate

Systemtic Name: 3-chloranylpropyl 2,5-bis(azanyl)-3-methyl-6-nitro-benzoate Openeye Name: 3-chloropropyl 2,5-diamino-3-methyl-6-nitro-benzoate CAS Name: 2,5-diamino-3-methyl-6-nitrobenzoic acid 3-chloropropyl ester IUPAC Name: 3-chloropropyl 2,5-diamino-3-methyl-6-nitrobenzoate Traditional Name: 2,5-diamino-3-methyl-6-nitro-benzoic acid 3-chloropropyl ester Formula: C11H14ClN3O4 MolecularWeight: 287.69956

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1N)C(=O)OCCCCl)[N+](=O)[O-])N

Isomeric SMILES

CC1=CC(=C(C(=C1N)C(=O)OCCCCl)[N+](=O)[O-])N

InChI

InChI=1S/C11H14ClN3O4/c1-6-5-7(13)10(15(17)18)8(9(6)14)11(16)19-4-2-3-12/h5H,2-4,13-14H2,1H3