N-[4-[bis(2-chloroethyl)amino]phenyl]-3-(2-nitroimidazol-1-yl)propanamide

Systemtic Name: N-[4-[bis(2-chloroethyl)amino]phenyl]-3-(2-nitroimidazol-1-yl)propanamide Openeye Name: N-[4-[bis(2-chloroethyl)amino]phenyl]-3-(2-nitroimidazol-1-yl)propanamide CAS Name: N-[4-[bis(2-chloroethyl)amino]phenyl]-3-(2-nitro-1-imidazolyl)propanamide IUPAC Name: N-[4-[bis(2-chloroethyl)amino]phenyl]-3-(2-nitroimidazol-1-yl)propanamide Traditional Name: N-[4-[bis(2-chloroethyl)amino]phenyl]-3-(2-nitroimidazol-1-yl)propionamide Formula: C16H19Cl2N5O3 MolecularWeight: 400.25976

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC(=O)CCN2C=CN=C2[N+](=O)[O-])N(CCCl)CCCl

Isomeric SMILES

C1=CC(=CC=C1NC(=O)CCN2C=CN=C2[N+](=O)[O-])N(CCCl)CCCl

InChI

InChI=1S/C16H19Cl2N5O3/c17-6-10-21(11-7-18)14-3-1-13(2-4-14)20-15(24)5-9-22-12-8-19-16(22)23(25)26/h1-4,8,12H,5-7,9-11H2,(H,20,24)