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

Systemtic Name: N-[3-azanyl-1-[3-nitro-4-(2-phenoxyethylamino)phenyl]-3-oxidanylidene-propyl]-2,5-dimethoxy-benzamide Openeye Name: N-[3-amino-1-[3-nitro-4-(2-phenoxyethylamino)phenyl]-3-oxo-propyl]-2,5-dimethoxy-benzamide CAS Name: N-[3-amino-1-[3-nitro-4-(2-phenoxyethylamino)phenyl]-3-oxopropyl]-2,5-dimethoxybenzamide IUPAC Name: N-[3-amino-1-[3-nitro-4-(2-phenoxyethylamino)phenyl]-3-oxopropyl]-2,5-dimethoxybenzamide Traditional Name: N-[3-amino-3-keto-1-[3-nitro-4-(2-phenoxyethylamino)phenyl]propyl]-2,5-dimethoxy-benzamide Formula: C26H28N4O7 MolecularWeight: 508.52312

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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)NCCOC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=C(C=C1)OC)C(=O)NC(CC(=O)N)C2=CC(=C(C=C2)NCCOC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C26H28N4O7/c1-35-19-9-11-24(36-2)20(15-19)26(32)29-22(16-25(27)31)17-8-10-21(23(14-17)30(33)34)28-12-13-37-18-6-4-3-5-7-18/h3-11,14-15,22,28H,12-13,16H2,1-2H3,(H2,27,31)(H,29,32)