(E)-but-2-enedioate; 3-(1-butylpiperidin-4-yl)-1-(2-chloroethyl)-1-nitroso-urea

Systemtic Name: (E)-but-2-enedioate; 3-(1-butylpiperidin-4-yl)-1-(2-chloroethyl)-1-nitroso-urea Openeye Name: (E)-but-2-enedioate; 3-(1-butyl-4-piperidyl)-1-(2-chloroethyl)-1-nitroso-urea CAS Name: (E)-2-butenedioate; 3-(1-butyl-4-piperidinyl)-1-(2-chloroethyl)-1-nitrosourea IUPAC Name: (E)-but-2-enedioate; 3-(1-butylpiperidin-4-yl)-1-(2-chloroethyl)-1-nitrosourea Traditional Name: 3-(1-butyl-4-piperidyl)-1-(2-chloroethyl)-1-nitroso-urea fumarate Formula: C16H25ClN4O6-2 MolecularWeight: 404.8459

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1CCC(CC1)NC(=O)N(CCCl)N=O.C(=CC(=O)[O-])C(=O)[O-]

Isomeric SMILES

CCCCN1CCC(CC1)NC(=O)N(CCCl)N=O.C(=C/C(=O)[O-])\C(=O)[O-]

InChI

InChI=1S/C12H23ClN4O2.C4H4O4/c1-2-3-7-16-8-4-11(5-9-16)14-12(18)17(15-19)10-6-13;5-3(6)1-2-4(7)8/h11H,2-10H2,1H3,(H,14,18);1-2H,(H,5,6)(H,7,8)/p-2/b;2-1+