2-butyl-N-[2-[(2-nitrophenyl)amino]ethyl]-1,3-bis(oxidanylidene)isoindole-5-carboxamide

Systemtic Name: 2-butyl-N-[2-[(2-nitrophenyl)amino]ethyl]-1,3-bis(oxidanylidene)isoindole-5-carboxamide Openeye Name: 2-butyl-N-[2-(2-nitroanilino)ethyl]-1,3-dioxo-isoindoline-5-carboxamide CAS Name: 2-butyl-N-[2-(2-nitroanilino)ethyl]-1,3-dioxo-5-isoindolecarboxamide IUPAC Name: 2-butyl-N-[2-(2-nitroanilino)ethyl]-1,3-dioxoisoindole-5-carboxamide Traditional Name: 2-butyl-1,3-diketo-N-[2-(2-nitroanilino)ethyl]isoindoline-5-carboxamide Formula: C21H22N4O5 MolecularWeight: 410.42318

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)NCCNC3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CCCCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)NCCNC3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C21H22N4O5/c1-2-3-12-24-20(27)15-9-8-14(13-16(15)21(24)28)19(26)23-11-10-22-17-6-4-5-7-18(17)25(29)30/h4-9,13,22H,2-3,10-12H2,1H3,(H,23,26)