N4,N4-bis(2-chloroethyl)-N1-[(E)-2-diazanyl-1-nitroso-prop-1-enyl]benzene-1,4-diamine

Systemtic Name: N4,N4-bis(2-chloroethyl)-N1-[(E)-2-diazanyl-1-nitroso-prop-1-enyl]benzene-1,4-diamine Openeye Name: N4,N4-bis(2-chloroethyl)-N1-[(E)-2-hydrazino-1-nitroso-prop-1-enyl]benzene-1,4-diamine CAS Name: N4,N4-bis(2-chloroethyl)-N1-[(E)-2-hydrazinyl-1-nitrosoprop-1-enyl]benzene-1,4-diamine IUPAC Name: 4-N,4-N-bis(2-chloroethyl)-1-N-[(E)-2-hydrazinyl-1-nitrosoprop-1-enyl]benzene-1,4-diamine Traditional Name: bis(2-chloroethyl)-[4-[[(E)-2-hydrazino-1-nitroso-prop-1-enyl]amino]phenyl]amine Formula: C13H19Cl2N5O MolecularWeight: 332.22886

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C(NC1=CC=C(C=C1)N(CCCl)CCCl)N=O)NN

Isomeric SMILES

C/C(=C(/NC1=CC=C(C=C1)N(CCCl)CCCl)\N=O)/NN

InChI

InChI=1S/C13H19Cl2N5O/c1-10(18-16)13(19-21)17-11-2-4-12(5-3-11)20(8-6-14)9-7-15/h2-5,17-18H,6-9,16H2,1H3/b13-10+