[[5-azanyl-1-(2,3-dinitrophenyl)-1-oxidanylidene-pentan-2-yl]carbamoylamino]-(2-chloroethyl)-oxidanylidene-azanium

Systemtic Name: [[5-azanyl-1-(2,3-dinitrophenyl)-1-oxidanylidene-pentan-2-yl]carbamoylamino]-(2-chloroethyl)-oxidanylidene-azanium Openeye Name: [[4-amino-1-(2,3-dinitrobenzoyl)butyl]carbamoylamino]-(2-chloroethyl)-oxo-ammonium CAS Name: [[[[5-amino-1-(2,3-dinitrophenyl)-1-oxopentan-2-yl]amino]-oxomethyl]amino]-(2-chloroethyl)-oxoammonium IUPAC Name: [[5-amino-1-(2,3-dinitrophenyl)-1-oxopentan-2-yl]carbamoylamino]-(2-chloroethyl)-oxoazanium Traditional Name: [[4-amino-1-(2,3-dinitrobenzoyl)butyl]carbamoylamino]-(2-chloroethyl)-keto-ammonium Formula: C14H18ClN6O7+ MolecularWeight: 417.78172

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1)[N+](=O)[O-])[N+](=O)[O-])C(=O)C(CCCN)NC(=O)N[N+](=O)CCCl

Isomeric SMILES

C1=CC(=C(C(=C1)[N+](=O)[O-])[N+](=O)[O-])C(=O)C(CCCN)NC(=O)N[N+](=O)CCCl

InChI

InChI=1S/C14H17ClN6O7/c15-6-8-19(24)18-14(23)17-10(4-2-7-16)13(22)9-3-1-5-11(20(25)26)12(9)21(27)28/h1,3,5,10H,2,4,6-8,16H2,(H-,17,18,23,24)/p+1