ethyl 2-nitro-3-(4-nitro-1H-indol-3-yl)propanoate

Systemtic Name: ethyl 2-nitro-3-(4-nitro-1H-indol-3-yl)propanoate Openeye Name: ethyl 2-nitro-3-(4-nitro-1H-indol-3-yl)propanoate CAS Name: 2-nitro-3-(4-nitro-1H-indol-3-yl)propanoic acid ethyl ester IUPAC Name: ethyl 2-nitro-3-(4-nitro-1H-indol-3-yl)propanoate Traditional Name: 2-nitro-3-(4-nitro-1H-indol-3-yl)propionic acid ethyl ester Formula: C13H13N3O6 MolecularWeight: 307.25882

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H13N3O6/c1-2-22-13(17)11(16(20)21)6-8-7-14-9-4-3-5-10(12(8)9)15(18)19/h3-5,7,11,14H,2,6H2,1H3