3-(1,3-dinitropropan-2-yl)-1-ethyl-2-methyl-indole

Systemtic Name: 3-(1,3-dinitropropan-2-yl)-1-ethyl-2-methyl-indole Openeye Name: 1-ethyl-2-methyl-3-[2-nitro-1-(nitromethyl)ethyl]indole CAS Name: 3-(1,3-dinitropropan-2-yl)-1-ethyl-2-methylindole IUPAC Name: 3-(1,3-dinitropropan-2-yl)-1-ethyl-2-methylindole Traditional Name: 1-ethyl-2-methyl-3-[2-nitro-1-(nitromethyl)ethyl]indole Formula: C14H17N3O4 MolecularWeight: 291.30248

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C2=CC=CC=C21)C(C[N+](=O)[O-])C[N+](=O)[O-])C

Isomeric SMILES

CCN1C(=C(C2=CC=CC=C21)C(C[N+](=O)[O-])C[N+](=O)[O-])C

InChI

InChI=1S/C14H17N3O4/c1-3-15-10(2)14(12-6-4-5-7-13(12)15)11(8-16(18)19)9-17(20)21/h4-7,11H,3,8-9H2,1-2H3