N-[4-[bis(2-chloroethyl)amino]phenyl]-2-(2-nitroimidazol-1-yl)propanamide

Systemtic Name: N-[4-[bis(2-chloroethyl)amino]phenyl]-2-(2-nitroimidazol-1-yl)propanamide Openeye Name: N-[4-[bis(2-chloroethyl)amino]phenyl]-2-(2-nitroimidazol-1-yl)propanamide CAS Name: N-[4-[bis(2-chloroethyl)amino]phenyl]-2-(2-nitro-1-imidazolyl)propanamide IUPAC Name: N-[4-[bis(2-chloroethyl)amino]phenyl]-2-(2-nitroimidazol-1-yl)propanamide Traditional Name: N-[4-[bis(2-chloroethyl)amino]phenyl]-2-(2-nitroimidazol-1-yl)propionamide Formula: C16H19Cl2N5O3 MolecularWeight: 400.25976

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)N(CCCl)CCCl)N2C=CN=C2[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)N(CCCl)CCCl)N2C=CN=C2[N+](=O)[O-]

InChI

InChI=1S/C16H19Cl2N5O3/c1-12(22-11-8-19-16(22)23(25)26)15(24)20-13-2-4-14(5-3-13)21(9-6-17)10-7-18/h2-5,8,11-12H,6-7,9-10H2,1H3,(H,20,24)