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

Systemtic Name: N-[4-[bis(2-chloroethyl)amino]phenyl]-2-ethyl-5-nitro-3-propyl-imidazole-4-carboxamide Openeye Name: N-[4-[bis(2-chloroethyl)amino]phenyl]-2-ethyl-5-nitro-3-propyl-imidazole-4-carboxamide CAS Name: N-[4-[bis(2-chloroethyl)amino]phenyl]-2-ethyl-5-nitro-3-propyl-4-imidazolecarboxamide IUPAC Name: N-[4-[bis(2-chloroethyl)amino]phenyl]-2-ethyl-5-nitro-3-propylimidazole-4-carboxamide Traditional Name: N-[4-[bis(2-chloroethyl)amino]phenyl]-2-ethyl-5-nitro-3-propyl-imidazole-4-carboxamide Formula: C19H25Cl2N5O3 MolecularWeight: 442.3395

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=NC(=C1C(=O)NC2=CC=C(C=C2)N(CCCl)CCCl)[N+](=O)[O-])CC

Isomeric SMILES

CCCN1C(=NC(=C1C(=O)NC2=CC=C(C=C2)N(CCCl)CCCl)[N+](=O)[O-])CC

InChI

InChI=1S/C19H25Cl2N5O3/c1-3-11-25-16(4-2)23-18(26(28)29)17(25)19(27)22-14-5-7-15(8-6-14)24(12-9-20)13-10-21/h5-8H,3-4,9-13H2,1-2H3,(H,22,27)