N-[4-[[2-chloroethyl(nitroso)carbamoyl]amino]butyl]-3,5-dinitro-benzamide

Systemtic Name: N-[4-[[2-chloroethyl(nitroso)carbamoyl]amino]butyl]-3,5-dinitro-benzamide Openeye Name: N-[4-[[2-chloroethyl(nitroso)carbamoyl]amino]butyl]-3,5-dinitro-benzamide CAS Name: N-[4-[[[2-chloroethyl(nitroso)amino]-oxomethyl]amino]butyl]-3,5-dinitrobenzamide IUPAC Name: N-[4-[[2-chloroethyl(nitroso)carbamoyl]amino]butyl]-3,5-dinitrobenzamide Traditional Name: N-[4-[[2-chloroethyl(nitroso)carbamoyl]amino]butyl]-3,5-dinitro-benzamide Formula: C14H17ClN6O7 MolecularWeight: 416.77378

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])C(=O)NCCCCNC(=O)N(CCCl)N=O

Isomeric SMILES

C1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])C(=O)NCCCCNC(=O)N(CCCl)N=O

InChI

InChI=1S/C14H17ClN6O7/c15-3-6-19(18-24)14(23)17-5-2-1-4-16-13(22)10-7-11(20(25)26)9-12(8-10)21(27)28/h7-9H,1-6H2,(H,16,22)(H,17,23)