N-[2-(2-azanylethylamino)ethyl]-N-(2,4-dinitrophenyl)carbonyl-2,4-dinitro-benzamide

Systemtic Name: N-[2-(2-azanylethylamino)ethyl]-N-(2,4-dinitrophenyl)carbonyl-2,4-dinitro-benzamide Openeye Name: N-[2-(2-aminoethylamino)ethyl]-N-(2,4-dinitrobenzoyl)-2,4-dinitro-benzamide CAS Name: N-[2-(2-aminoethylamino)ethyl]-N-[(2,4-dinitrophenyl)-oxomethyl]-2,4-dinitrobenzamide IUPAC Name: N-[2-(2-aminoethylamino)ethyl]-N-(2,4-dinitrobenzoyl)-2,4-dinitrobenzamide Traditional Name: N-[2-(2-aminoethylamino)ethyl]-N-(2,4-dinitrobenzoyl)-2,4-dinitro-benzamide Formula: C18H17N7O10 MolecularWeight: 491.36848

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])C(=O)N(CCNCCN)C(=O)C2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])C(=O)N(CCNCCN)C(=O)C2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C18H17N7O10/c19-5-6-20-7-8-21(17(26)13-3-1-11(22(28)29)9-15(13)24(32)33)18(27)14-4-2-12(23(30)31)10-16(14)25(34)35/h1-4,9-10,20H,5-8,19H2