(E)-but-2-enedioate; 1-(2-chloroethyl)-1-nitroso-3-pyridin-3-yl-urea

Systemtic Name: (E)-but-2-enedioate; 1-(2-chloroethyl)-1-nitroso-3-pyridin-3-yl-urea Openeye Name: (E)-but-2-enedioate; 1-(2-chloroethyl)-1-nitroso-3-(3-pyridyl)urea CAS Name: (E)-2-butenedioate; 1-(2-chloroethyl)-1-nitroso-3-(3-pyridinyl)urea IUPAC Name: (E)-but-2-enedioate; 1-(2-chloroethyl)-1-nitroso-3-pyridin-3-ylurea Traditional Name: 1-(2-chloroethyl)-1-nitroso-3-(3-pyridyl)urea fumarate Formula: C12H11ClN4O6-2 MolecularWeight: 342.69194

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)NC(=O)N(CCCl)N=O.C(=CC(=O)[O-])C(=O)[O-]

Isomeric SMILES

C1=CC(=CN=C1)NC(=O)N(CCCl)N=O.C(=C/C(=O)[O-])\C(=O)[O-]

InChI

InChI=1S/C8H9ClN4O2.C4H4O4/c9-3-5-13(12-15)8(14)11-7-2-1-4-10-6-7;5-3(6)1-2-4(7)8/h1-2,4,6H,3,5H2,(H,11,14);1-2H,(H,5,6)(H,7,8)/p-2/b;2-1+