bis(2-chloroethyl)-[(5-ethoxycarbonyl-1-methyl-3-nitro-pyrrol-2-yl)methyl]-methyl-azanium chloride

Systemtic Name: bis(2-chloroethyl)-[(5-ethoxycarbonyl-1-methyl-3-nitro-pyrrol-2-yl)methyl]-methyl-azanium chloride Openeye Name: bis(2-chloroethyl)-[(5-ethoxycarbonyl-1-methyl-3-nitro-pyrrol-2-yl)methyl]-methyl-ammonium chloride CAS Name: bis(2-chloroethyl)-[(5-ethoxycarbonyl-1-methyl-3-nitro-2-pyrrolyl)methyl]-methylammonium chloride IUPAC Name: bis(2-chloroethyl)-[(5-ethoxycarbonyl-1-methyl-3-nitropyrrol-2-yl)methyl]-methylazanium chloride Traditional Name: (5-carbethoxy-1-methyl-3-nitro-pyrrol-2-yl)methyl-bis(2-chloroethyl)-methyl-ammonium chloride Formula: C14H22Cl3N3O4 MolecularWeight: 402.70118

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(N1C)C[N+](C)(CCCl)CCCl)[N+](=O)[O-].[Cl-]

Isomeric SMILES

CCOC(=O)C1=CC(=C(N1C)C[N+](C)(CCCl)CCCl)[N+](=O)[O-].[Cl-]

InChI

InChI=1S/C14H22Cl2N3O4.ClH/c1-4-23-14(20)12-9-11(18(21)22)13(17(12)2)10-19(3,7-5-15)8-6-16;/h9H,4-8,10H2,1-3H3;1H/q+1;/p-1