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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=CC2=C(N1)C=CC=C2[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C(CC1=CC2=C(N1)C=CC=C2[N+](=O)[O-])[N+](=O)[O-]

InChI

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