N-[3-azanyl-1-[3-nitro-4-(2-piperidin-1-ylethylamino)phenyl]-3-oxidanylidene-propyl]-2,5-dimethoxy-benzamide

Systemtic Name: N-[3-azanyl-1-[3-nitro-4-(2-piperidin-1-ylethylamino)phenyl]-3-oxidanylidene-propyl]-2,5-dimethoxy-benzamide Openeye Name: N-[3-amino-1-[3-nitro-4-[2-(1-piperidyl)ethylamino]phenyl]-3-oxo-propyl]-2,5-dimethoxy-benzamide CAS Name: N-[3-amino-1-[3-nitro-4-[2-(1-piperidinyl)ethylamino]phenyl]-3-oxopropyl]-2,5-dimethoxybenzamide IUPAC Name: N-[3-amino-1-[3-nitro-4-(2-piperidin-1-ylethylamino)phenyl]-3-oxopropyl]-2,5-dimethoxybenzamide Traditional Name: N-[3-amino-3-keto-1-[3-nitro-4-(2-piperidinoethylamino)phenyl]propyl]-2,5-dimethoxy-benzamide Formula: C25H33N5O6 MolecularWeight: 499.55942

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)C(=O)NC(CC(=O)N)C2=CC(=C(C=C2)NCCN3CCCCC3)[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=C(C=C1)OC)C(=O)NC(CC(=O)N)C2=CC(=C(C=C2)NCCN3CCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C25H33N5O6/c1-35-18-7-9-23(36-2)19(15-18)25(32)28-21(16-24(26)31)17-6-8-20(22(14-17)30(33)34)27-10-13-29-11-4-3-5-12-29/h6-9,14-15,21,27H,3-5,10-13,16H2,1-2H3,(H2,26,31)(H,28,32)