3-[[2-oxidanylidene-2-(2-phenylindolizin-3-yl)ethanoyl]amino]propyl 4-chloranyl-2-nitro-benzoate

Systemtic Name: 3-[[2-oxidanylidene-2-(2-phenylindolizin-3-yl)ethanoyl]amino]propyl 4-chloranyl-2-nitro-benzoate Openeye Name: 3-[[2-oxo-2-(2-phenylindolizin-3-yl)acetyl]amino]propyl 4-chloro-2-nitro-benzoate CAS Name: 4-chloro-2-nitrobenzoic acid 3-[[1,2-dioxo-2-(2-phenyl-3-indolizinyl)ethyl]amino]propyl ester IUPAC Name: 3-[[2-oxo-2-(2-phenylindolizin-3-yl)acetyl]amino]propyl 4-chloro-2-nitrobenzoate Traditional Name: 4-chloro-2-nitro-benzoic acid 3-[[2-keto-2-(2-phenylindolizin-3-yl)acetyl]amino]propyl ester Formula: C26H20ClN3O6 MolecularWeight: 505.9065

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(N3C=CC=CC3=C2)C(=O)C(=O)NCCCOC(=O)C4=C(C=C(C=C4)Cl)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C2=C(N3C=CC=CC3=C2)C(=O)C(=O)NCCCOC(=O)C4=C(C=C(C=C4)Cl)[N+](=O)[O-]

InChI

InChI=1S/C26H20ClN3O6/c27-18-10-11-20(22(15-18)30(34)35)26(33)36-14-6-12-28-25(32)24(31)23-21(17-7-2-1-3-8-17)16-19-9-4-5-13-29(19)23/h1-5,7-11,13,15-16H,6,12,14H2,(H,28,32)