3-(2-acetamidoethyl)-5-nitro-1H-indole-2-carboxylic acid

Systemtic Name: 3-(2-acetamidoethyl)-5-nitro-1H-indole-2-carboxylic acid Openeye Name: 3-(2-acetamidoethyl)-5-nitro-1H-indole-2-carboxylic acid CAS Name: 3-(2-acetamidoethyl)-5-nitro-1H-indole-2-carboxylic acid IUPAC Name: 3-(2-acetamidoethyl)-5-nitro-1H-indole-2-carboxylic acid Traditional Name: 3-(2-acetamidoethyl)-5-nitro-1H-indole-2-carboxylic acid Formula: C13H13N3O5 MolecularWeight: 291.25942

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCC1=C(NC2=C1C=C(C=C2)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CC(=O)NCCC1=C(NC2=C1C=C(C=C2)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C13H13N3O5/c1-7(17)14-5-4-9-10-6-8(16(20)21)2-3-11(10)15-12(9)13(18)19/h2-3,6,15H,4-5H2,1H3,(H,14,17)(H,18,19)