diethyl 2-formamido-2-[(5-nitro-1H-indol-3-yl)methyl]propanedioate

Systemtic Name: diethyl 2-formamido-2-[(5-nitro-1H-indol-3-yl)methyl]propanedioate Openeye Name: diethyl 2-formamido-2-[(5-nitro-1H-indol-3-yl)methyl]propanedioate CAS Name: 2-formamido-2-[(5-nitro-1H-indol-3-yl)methyl]propanedioic acid diethyl ester IUPAC Name: diethyl 2-formamido-2-[(5-nitro-1H-indol-3-yl)methyl]propanedioate Traditional Name: 2-formamido-2-[(5-nitro-1H-indol-3-yl)methyl]malonic acid diethyl ester Formula: C17H19N3O7 MolecularWeight: 377.34866

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19N3O7/c1-3-26-15(22)17(19-10-21,16(23)27-4-2)8-11-9-18-14-6-5-12(20(24)25)7-13(11)14/h5-7,9-10,18H,3-4,8H2,1-2H3,(H,19,21)