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

Systemtic Name: 2-chloroethyl 2,5-bis(azanyl)-3-methoxy-6-nitro-benzoate Openeye Name: 2-chloroethyl 2,5-diamino-3-methoxy-6-nitro-benzoate CAS Name: 2,5-diamino-3-methoxy-6-nitrobenzoic acid 2-chloroethyl ester IUPAC Name: 2-chloroethyl 2,5-diamino-3-methoxy-6-nitrobenzoate Traditional Name: 2,5-diamino-3-methoxy-6-nitro-benzoic acid 2-chloroethyl ester Formula: C10H12ClN3O5 MolecularWeight: 289.67238

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C(=C1)N)[N+](=O)[O-])C(=O)OCCCl)N

Isomeric SMILES

COC1=C(C(=C(C(=C1)N)[N+](=O)[O-])C(=O)OCCCl)N

InChI

InChI=1S/C10H12ClN3O5/c1-18-6-4-5(12)9(14(16)17)7(8(6)13)10(15)19-3-2-11/h4H,2-3,12-13H2,1H3