2-[5-[(2-methoxy-5-nitro-phenyl)amino]pentyl]isoindole-1,3-dione

Systemtic Name: 2-[5-[(2-methoxy-5-nitro-phenyl)amino]pentyl]isoindole-1,3-dione Openeye Name: 2-[5-(2-methoxy-5-nitro-anilino)pentyl]isoindoline-1,3-dione CAS Name: 2-[5-(2-methoxy-5-nitroanilino)pentyl]isoindole-1,3-dione IUPAC Name: 2-[5-(2-methoxy-5-nitroanilino)pentyl]isoindole-1,3-dione Traditional Name: 2-[5-(2-methoxy-5-nitro-anilino)pentyl]isoindoline-1,3-quinone Formula: C20H21N3O5 MolecularWeight: 383.39784

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])NCCCCCN2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])NCCCCCN2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C20H21N3O5/c1-28-18-10-9-14(23(26)27)13-17(18)21-11-5-2-6-12-22-19(24)15-7-3-4-8-16(15)20(22)25/h3-4,7-10,13,21H,2,5-6,11-12H2,1H3