N-[4-[bis(2-chloroethyl)amino]phenyl]-2,3-dimethyl-5-nitro-imidazole-4-carboxamide

Systemtic Name: N-[4-[bis(2-chloroethyl)amino]phenyl]-2,3-dimethyl-5-nitro-imidazole-4-carboxamide Openeye Name: N-[4-[bis(2-chloroethyl)amino]phenyl]-2,3-dimethyl-5-nitro-imidazole-4-carboxamide CAS Name: N-[4-[bis(2-chloroethyl)amino]phenyl]-2,3-dimethyl-5-nitro-4-imidazolecarboxamide IUPAC Name: N-[4-[bis(2-chloroethyl)amino]phenyl]-2,3-dimethyl-5-nitroimidazole-4-carboxamide Traditional Name: N-[4-[bis(2-chloroethyl)amino]phenyl]-2,3-dimethyl-5-nitro-imidazole-4-carboxamide Formula: C16H19Cl2N5O3 MolecularWeight: 400.25976

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(N1C)C(=O)NC2=CC=C(C=C2)N(CCCl)CCCl)[N+](=O)[O-]

Isomeric SMILES

CC1=NC(=C(N1C)C(=O)NC2=CC=C(C=C2)N(CCCl)CCCl)[N+](=O)[O-]

InChI

InChI=1S/C16H19Cl2N5O3/c1-11-19-15(23(25)26)14(21(11)2)16(24)20-12-3-5-13(6-4-12)22(9-7-17)10-8-18/h3-6H,7-10H2,1-2H3,(H,20,24)