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

Systemtic Name: bis(2-chloroethyl)-[(5-ethoxycarbonyl-1-methyl-2-nitro-pyrrol-3-yl)methyl]-methyl-azanium Openeye Name: bis(2-chloroethyl)-[(5-ethoxycarbonyl-1-methyl-2-nitro-pyrrol-3-yl)methyl]-methyl-ammonium CAS Name: bis(2-chloroethyl)-[(5-ethoxycarbonyl-1-methyl-2-nitro-3-pyrrolyl)methyl]-methylammonium IUPAC Name: bis(2-chloroethyl)-[(5-ethoxycarbonyl-1-methyl-2-nitropyrrol-3-yl)methyl]-methylazanium Traditional Name: (5-carbethoxy-1-methyl-2-nitro-pyrrol-3-yl)methyl-bis(2-chloroethyl)-methyl-ammonium Formula: C14H22Cl2N3O4+ MolecularWeight: 367.24818

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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