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

Systemtic Name: 2-chloroethyl 2,5-bis(azanyl)-3-methyl-6-nitro-benzoate Openeye Name: 2-chloroethyl 2,5-diamino-3-methyl-6-nitro-benzoate CAS Name: 2,5-diamino-3-methyl-6-nitrobenzoic acid 2-chloroethyl ester IUPAC Name: 2-chloroethyl 2,5-diamino-3-methyl-6-nitrobenzoate Traditional Name: 2,5-diamino-3-methyl-6-nitro-benzoic acid 2-chloroethyl ester Formula: C10H12ClN3O4 MolecularWeight: 273.67298

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H12ClN3O4/c1-5-4-6(12)9(14(16)17)7(8(5)13)10(15)18-3-2-11/h4H,2-3,12-13H2,1H3