ethyl 2,5-dimethyl-4-[2-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]ethanoyl]-1H-pyrrole-3-carboxylate

Systemtic Name: ethyl 2,5-dimethyl-4-[2-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]ethanoyl]-1H-pyrrole-3-carboxylate Openeye Name: ethyl 2,5-dimethyl-4-[2-(4-nitro-1,3-dioxo-isoindolin-2-yl)acetyl]-1H-pyrrole-3-carboxylate CAS Name: 2,5-dimethyl-4-[2-(4-nitro-1,3-dioxo-2-isoindolyl)-1-oxoethyl]-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2,5-dimethyl-4-[2-(4-nitro-1,3-dioxoisoindol-2-yl)acetyl]-1H-pyrrole-3-carboxylate Traditional Name: 4-[2-(1,3-diketo-4-nitro-isoindolin-2-yl)acetyl]-2,5-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C19H17N3O7 MolecularWeight: 399.35418

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C(=O)CN2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-])C)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C(=O)CN2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-])C)C

InChI

InChI=1S/C19H17N3O7/c1-4-29-19(26)15-10(3)20-9(2)14(15)13(23)8-21-17(24)11-6-5-7-12(22(27)28)16(11)18(21)25/h5-7,20H,4,8H2,1-3H3