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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N5O6/c22-10-1-2-11-23-12-5-13-24(20(27)16-6-3-8-18(14-16)25(29)30)21(28)17-7-4-9-19(15-17)26(31)32/h3-4,6-9,14-15,23H,1-2,5,10-13,22H2