2-[4-[(2-methoxy-5-nitro-phenyl)amino]pentyl]isoindole-1,3-dione

Systemtic Name: 2-[4-[(2-methoxy-5-nitro-phenyl)amino]pentyl]isoindole-1,3-dione Openeye Name: 2-[4-(2-methoxy-5-nitro-anilino)pentyl]isoindoline-1,3-dione CAS Name: 2-[4-(2-methoxy-5-nitroanilino)pentyl]isoindole-1,3-dione IUPAC Name: 2-[4-(2-methoxy-5-nitroanilino)pentyl]isoindole-1,3-dione Traditional Name: 2-[4-(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:

CC(CCCN1C(=O)C2=CC=CC=C2C1=O)NC3=C(C=CC(=C3)[N+](=O)[O-])OC

Isomeric SMILES

CC(CCCN1C(=O)C2=CC=CC=C2C1=O)NC3=C(C=CC(=C3)[N+](=O)[O-])OC

InChI

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