N-[3-(4-azanylbutylamino)propyl]-2-nitro-N-(2-nitrophenyl)carbonyl-benzamide

Systemtic Name: N-[3-(4-azanylbutylamino)propyl]-2-nitro-N-(2-nitrophenyl)carbonyl-benzamide Openeye Name: N-[3-(4-aminobutylamino)propyl]-2-nitro-N-(2-nitrobenzoyl)benzamide CAS Name: N-[3-(4-aminobutylamino)propyl]-2-nitro-N-[(2-nitrophenyl)-oxomethyl]benzamide IUPAC Name: N-[3-(4-aminobutylamino)propyl]-2-nitro-N-(2-nitrobenzoyl)benzamide Traditional Name: N-[3-(4-aminobutylamino)propyl]-2-nitro-N-(2-nitrobenzoyl)benzamide Formula: C21H25N5O6 MolecularWeight: 443.4531

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N5O6/c22-12-5-6-13-23-14-7-15-24(20(27)16-8-1-3-10-18(16)25(29)30)21(28)17-9-2-4-11-19(17)26(31)32/h1-4,8-11,23H,5-7,12-15,22H2