N-[4-azanyl-4-(2-azanylethyl)-7-[(4-nitrophenyl)carbonylamino]heptyl]-4-nitro-benzamide

Systemtic Name: N-[4-azanyl-4-(2-azanylethyl)-7-[(4-nitrophenyl)carbonylamino]heptyl]-4-nitro-benzamide Openeye Name: N-[4-amino-4-(2-aminoethyl)-7-[(4-nitrobenzoyl)amino]heptyl]-4-nitro-benzamide CAS Name: N-[4-amino-4-(2-aminoethyl)-7-[[(4-nitrophenyl)-oxomethyl]amino]heptyl]-4-nitrobenzamide IUPAC Name: N-[4-amino-4-(2-aminoethyl)-7-[(4-nitrobenzoyl)amino]heptyl]-4-nitrobenzamide Traditional Name: N-[4-amino-4-(2-aminoethyl)-7-[(4-nitrobenzoyl)amino]heptyl]-4-nitro-benzamide Formula: C23H30N6O6 MolecularWeight: 486.5209

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)NCCCC(CCCNC(=O)C2=CC=C(C=C2)[N+](=O)[O-])(CCN)N)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C(=O)NCCCC(CCCNC(=O)C2=CC=C(C=C2)[N+](=O)[O-])(CCN)N)[N+](=O)[O-]

InChI

InChI=1S/C23H30N6O6/c24-14-13-23(25,11-1-15-26-21(30)17-3-7-19(8-4-17)28(32)33)12-2-16-27-22(31)18-5-9-20(10-6-18)29(34)35/h3-10H,1-2,11-16,24-25H2,(H,26,30)(H,27,31)