2-[[2-chloroethyl-(phenylmethyl)amino]diazenyl]-5-nitro-benzamide

Systemtic Name: 2-[[2-chloroethyl-(phenylmethyl)amino]diazenyl]-5-nitro-benzamide Openeye Name: 2-[benzyl(2-chloroethyl)amino]azo-5-nitro-benzamide CAS Name: 2-[2-chloroethyl-(phenylmethyl)amino]azo-5-nitrobenzamide IUPAC Name: 2-[[benzyl(2-chloroethyl)amino]diazenyl]-5-nitrobenzamide Traditional Name: 2-[benzyl(2-chloroethyl)amino]azo-5-nitro-benzamide Formula: C16H16ClN5O3 MolecularWeight: 361.78294

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN(CCCl)N=NC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)N

Isomeric SMILES

C1=CC=C(C=C1)CN(CCCl)N=NC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)N

InChI

InChI=1S/C16H16ClN5O3/c17-8-9-21(11-12-4-2-1-3-5-12)20-19-15-7-6-13(22(24)25)10-14(15)16(18)23/h1-7,10H,8-9,11H2,(H2,18,23)