ethyl 2-[[4-methyl-2-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]pentanoyl]amino]thiophene-3-carboxylate

Systemtic Name: ethyl 2-[[4-methyl-2-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]pentanoyl]amino]thiophene-3-carboxylate Openeye Name: ethyl 2-[[4-methyl-2-(4-nitro-1,3-dioxo-isoindolin-2-yl)pentanoyl]amino]thiophene-3-carboxylate CAS Name: 2-[[4-methyl-2-(4-nitro-1,3-dioxo-2-isoindolyl)-1-oxopentyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[4-methyl-2-(4-nitro-1,3-dioxoisoindol-2-yl)pentanoyl]amino]thiophene-3-carboxylate Traditional Name: 2-[[2-(1,3-diketo-4-nitro-isoindolin-2-yl)-4-methyl-pentanoyl]amino]thiophene-3-carboxylic acid ethyl ester Formula: C21H21N3O7S MolecularWeight: 459.47234

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1)NC(=O)C(CC(C)C)N2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=C(SC=C1)NC(=O)C(CC(C)C)N2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H21N3O7S/c1-4-31-21(28)13-8-9-32-18(13)22-17(25)15(10-11(2)3)23-19(26)12-6-5-7-14(24(29)30)16(12)20(23)27/h5-9,11,15H,4,10H2,1-3H3,(H,22,25)