N-[3-(4-azanylbutylamino)propyl]-4-nitro-N-(4-nitrophenyl)carbonyl-benzamide; ethanoic acid

Systemtic Name: N-[3-(4-azanylbutylamino)propyl]-4-nitro-N-(4-nitrophenyl)carbonyl-benzamide; ethanoic acid Openeye Name: acetic acid; N-[3-(4-aminobutylamino)propyl]-4-nitro-N-(4-nitrobenzoyl)benzamide CAS Name: acetic acid; N-[3-(4-aminobutylamino)propyl]-4-nitro-N-[(4-nitrophenyl)-oxomethyl]benzamide IUPAC Name: acetic acid; N-[3-(4-aminobutylamino)propyl]-4-nitro-N-(4-nitrobenzoyl)benzamide Traditional Name: acetic acid; N-[3-(4-aminobutylamino)propyl]-4-nitro-N-(4-nitrobenzoyl)benzamide Formula: C23H29N5O8 MolecularWeight: 503.50506

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N5O6.C2H4O2/c22-12-1-2-13-23-14-3-15-24(20(27)16-4-8-18(9-5-16)25(29)30)21(28)17-6-10-19(11-7-17)26(31)32;1-2(3)4/h4-11,23H,1-3,12-15,22H2;1H3,(H,3,4)