N-[4-[bis(2-chloroethyl)amino]phenyl]-2-(2-methyl-5-nitro-imidazol-1-yl)propanamide

Systemtic Name: N-[4-[bis(2-chloroethyl)amino]phenyl]-2-(2-methyl-5-nitro-imidazol-1-yl)propanamide Openeye Name: N-[4-[bis(2-chloroethyl)amino]phenyl]-2-(2-methyl-5-nitro-imidazol-1-yl)propanamide CAS Name: N-[4-[bis(2-chloroethyl)amino]phenyl]-2-(2-methyl-5-nitro-1-imidazolyl)propanamide IUPAC Name: N-[4-[bis(2-chloroethyl)amino]phenyl]-2-(2-methyl-5-nitroimidazol-1-yl)propanamide Traditional Name: N-[4-[bis(2-chloroethyl)amino]phenyl]-2-(2-methyl-5-nitro-imidazol-1-yl)propionamide Formula: C17H21Cl2N5O3 MolecularWeight: 414.28634

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21Cl2N5O3/c1-12(23-13(2)20-11-16(23)24(26)27)17(25)21-14-3-5-15(6-4-14)22(9-7-18)10-8-19/h3-6,11-12H,7-10H2,1-2H3,(H,21,25)