2-[(3-aminocarbonyl-2,4-dinitro-phenyl)-(2-chloroethyl)amino]ethyl methanesulfonate

Systemtic Name: 2-[(3-aminocarbonyl-2,4-dinitro-phenyl)-(2-chloroethyl)amino]ethyl methanesulfonate Openeye Name: 2-[3-carbamoyl-N-(2-chloroethyl)-2,4-dinitro-anilino]ethyl methanesulfonate CAS Name: methanesulfonic acid 2-[3-carbamoyl-N-(2-chloroethyl)-2,4-dinitroanilino]ethyl ester IUPAC Name: 2-[3-carbamoyl-N-(2-chloroethyl)-2,4-dinitroanilino]ethyl methanesulfonate Traditional Name: methanesulfonic acid 2-[3-carbamoyl-N-(2-chloroethyl)-2,4-dinitro-anilino]ethyl ester Formula: C12H15ClN4O8S MolecularWeight: 410.7875

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OCCN(CCCl)C1=C(C(=C(C=C1)[N+](=O)[O-])C(=O)N)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)OCCN(CCCl)C1=C(C(=C(C=C1)[N+](=O)[O-])C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C12H15ClN4O8S/c1-26(23,24)25-7-6-15(5-4-13)9-3-2-8(16(19)20)10(12(14)18)11(9)17(21)22/h2-3H,4-7H2,1H3,(H2,14,18)