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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(=O)N(CCCNCCCCN)C(=O)C2=CC(=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC(=C(C=C1C(=O)N(CCCNCCCCN)C(=O)C2=CC(=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C21H23N7O10/c22-8-1-2-9-23-10-3-11-24(20(29)14-4-6-16(25(31)32)18(12-14)27(35)36)21(30)15-5-7-17(26(33)34)19(13-15)28(37)38/h4-7,12-13,23H,1-3,8-11,22H2