ethyl 3-(3-ethoxy-2-nitro-3-oxidanylidene-propyl)-1H-indole-2-carboxylate

Systemtic Name: ethyl 3-(3-ethoxy-2-nitro-3-oxidanylidene-propyl)-1H-indole-2-carboxylate Openeye Name: ethyl 3-(3-ethoxy-2-nitro-3-oxo-propyl)-1H-indole-2-carboxylate CAS Name: 3-(3-ethoxy-2-nitro-3-oxopropyl)-1H-indole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3-(3-ethoxy-2-nitro-3-oxopropyl)-1H-indole-2-carboxylate Traditional Name: 3-(3-ethoxy-3-keto-2-nitro-propyl)-1H-indole-2-carboxylic acid ethyl ester Formula: C16H18N2O6 MolecularWeight: 334.32392

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC=CC=C2N1)CC(C(=O)OCC)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=C(C2=CC=CC=C2N1)CC(C(=O)OCC)[N+](=O)[O-]

InChI

InChI=1S/C16H18N2O6/c1-3-23-15(19)13(18(21)22)9-11-10-7-5-6-8-12(10)17-14(11)16(20)24-4-2/h5-8,13,17H,3-4,9H2,1-2H3