diethyl 2-acetamido-2-[(7-nitro-1H-indol-3-yl)methyl]propanedioate

Systemtic Name: diethyl 2-acetamido-2-[(7-nitro-1H-indol-3-yl)methyl]propanedioate Openeye Name: diethyl 2-acetamido-2-[(7-nitro-1H-indol-3-yl)methyl]propanedioate CAS Name: 2-acetamido-2-[(7-nitro-1H-indol-3-yl)methyl]propanedioic acid diethyl ester IUPAC Name: diethyl 2-acetamido-2-[(7-nitro-1H-indol-3-yl)methyl]propanedioate Traditional Name: 2-acetamido-2-[(7-nitro-1H-indol-3-yl)methyl]malonic acid diethyl ester Formula: C18H21N3O7 MolecularWeight: 391.37524

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=CNC2=C1C=CC=C2[N+](=O)[O-])(C(=O)OCC)NC(=O)C

Isomeric SMILES

CCOC(=O)C(CC1=CNC2=C1C=CC=C2[N+](=O)[O-])(C(=O)OCC)NC(=O)C

InChI

InChI=1S/C18H21N3O7/c1-4-27-16(23)18(20-11(3)22,17(24)28-5-2)9-12-10-19-15-13(12)7-6-8-14(15)21(25)26/h6-8,10,19H,4-5,9H2,1-3H3,(H,20,22)