N-[3-(4-azanylbutylamino)propyl]-N-(3,5-dinitrophenyl)carbonyl-3,5-dinitro-benzamide

Systemtic Name: N-[3-(4-azanylbutylamino)propyl]-N-(3,5-dinitrophenyl)carbonyl-3,5-dinitro-benzamide Openeye Name: N-[3-(4-aminobutylamino)propyl]-N-(3,5-dinitrobenzoyl)-3,5-dinitro-benzamide CAS Name: N-[3-(4-aminobutylamino)propyl]-N-[(3,5-dinitrophenyl)-oxomethyl]-3,5-dinitrobenzamide IUPAC Name: N-[3-(4-aminobutylamino)propyl]-N-(3,5-dinitrobenzoyl)-3,5-dinitrobenzamide Traditional Name: N-[3-(4-aminobutylamino)propyl]-N-(3,5-dinitrobenzoyl)-3,5-dinitro-benzamide Formula: C21H23N7O10 MolecularWeight: 533.44822

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N7O10/c22-4-1-2-5-23-6-3-7-24(20(29)14-8-16(25(31)32)12-17(9-14)26(33)34)21(30)15-10-18(27(35)36)13-19(11-15)28(37)38/h8-13,23H,1-7,22H2