(Z)-but-2-enedioic acid; 3-(1-butylpiperidin-4-yl)-1-(2-chloroethyl)-1-nitroso-urea

Systemtic Name: (Z)-but-2-enedioic acid; 3-(1-butylpiperidin-4-yl)-1-(2-chloroethyl)-1-nitroso-urea Openeye Name: 3-(1-butyl-4-piperidyl)-1-(2-chloroethyl)-1-nitroso-urea; maleic acid CAS Name: (Z)-2-butenedioic acid; 3-(1-butyl-4-piperidinyl)-1-(2-chloroethyl)-1-nitrosourea IUPAC Name: (Z)-but-2-enedioic acid; 3-(1-butylpiperidin-4-yl)-1-(2-chloroethyl)-1-nitrosourea Traditional Name: 3-(1-butyl-4-piperidyl)-1-(2-chloroethyl)-1-nitroso-urea; maleic acid Formula: C16H27ClN4O6 MolecularWeight: 406.86178

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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)/b;2-1-