[2-chloroethyl-[4-[(3,5-dinitrophenyl)carbonylamino]butylcarbamoyl]amino]-oxidanylidene-azanium

Systemtic Name: [2-chloroethyl-[4-[(3,5-dinitrophenyl)carbonylamino]butylcarbamoyl]amino]-oxidanylidene-azanium Openeye Name: [2-chloroethyl-[4-[(3,5-dinitrobenzoyl)amino]butylcarbamoyl]amino]-oxo-ammonium CAS Name: [2-chloroethyl-[[4-[[(3,5-dinitrophenyl)-oxomethyl]amino]butylamino]-oxomethyl]amino]-oxoammonium IUPAC Name: [2-chloroethyl-[4-[(3,5-dinitrobenzoyl)amino]butylcarbamoyl]amino]-oxoazanium Traditional Name: [2-chloroethyl-[4-[(3,5-dinitrobenzoyl)amino]butylcarbamoyl]amino]-keto-ammonium Formula: C14H18ClN6O7+ MolecularWeight: 417.78172

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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)[NH+]=O

Isomeric SMILES

C1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])C(=O)NCCCCNC(=O)N(CCCl)[NH+]=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)/p+1