N-(2-chloranyl-5-nitro-phenyl)-3-[5-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]propanamide

Systemtic Name: N-(2-chloranyl-5-nitro-phenyl)-3-[5-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]propanamide Openeye Name: N-(2-chloro-5-nitro-phenyl)-3-(5-nitro-1,3-dioxo-isoindolin-2-yl)propanamide CAS Name: N-(2-chloro-5-nitrophenyl)-3-(5-nitro-1,3-dioxo-2-isoindolyl)propanamide IUPAC Name: N-(2-chloro-5-nitrophenyl)-3-(5-nitro-1,3-dioxoisoindol-2-yl)propanamide Traditional Name: N-(2-chloro-5-nitro-phenyl)-3-(1,3-diketo-5-nitro-isoindolin-2-yl)propionamide Formula: C17H11ClN4O7 MolecularWeight: 418.74484

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1[N+](=O)[O-])C(=O)N(C2=O)CCC(=O)NC3=C(C=CC(=C3)[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC2=C(C=C1[N+](=O)[O-])C(=O)N(C2=O)CCC(=O)NC3=C(C=CC(=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C17H11ClN4O7/c18-13-4-2-10(22(28)29)8-14(13)19-15(23)5-6-20-16(24)11-3-1-9(21(26)27)7-12(11)17(20)25/h1-4,7-8H,5-6H2,(H,19,23)