N-[2-(2-azanylpropylamino)propyl]-N-(2,4-dinitrophenyl)carbonyl-2,4-dinitro-benzamide

Systemtic Name: N-[2-(2-azanylpropylamino)propyl]-N-(2,4-dinitrophenyl)carbonyl-2,4-dinitro-benzamide Openeye Name: N-[2-(2-aminopropylamino)propyl]-N-(2,4-dinitrobenzoyl)-2,4-dinitro-benzamide CAS Name: N-[2-(2-aminopropylamino)propyl]-N-[(2,4-dinitrophenyl)-oxomethyl]-2,4-dinitrobenzamide IUPAC Name: N-[2-(2-aminopropylamino)propyl]-N-(2,4-dinitrobenzoyl)-2,4-dinitrobenzamide Traditional Name: N-[2-(2-aminopropylamino)propyl]-N-(2,4-dinitrobenzoyl)-2,4-dinitro-benzamide Formula: C20H21N7O10 MolecularWeight: 519.42164

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N7O10/c1-11(21)9-22-12(2)10-23(19(28)15-5-3-13(24(30)31)7-17(15)26(34)35)20(29)16-6-4-14(25(32)33)8-18(16)27(36)37/h3-8,11-12,22H,9-10,21H2,1-2H3