methyl 3-(1,3-dinitropropan-2-yl)-1H-indole-4-carboxylate

Systemtic Name: methyl 3-(1,3-dinitropropan-2-yl)-1H-indole-4-carboxylate Openeye Name: methyl 3-[2-nitro-1-(nitromethyl)ethyl]-1H-indole-4-carboxylate CAS Name: 3-(1,3-dinitropropan-2-yl)-1H-indole-4-carboxylic acid methyl ester IUPAC Name: methyl 3-(1,3-dinitropropan-2-yl)-1H-indole-4-carboxylate Traditional Name: 3-[2-nitro-1-(nitromethyl)ethyl]-1H-indole-4-carboxylic acid methyl ester Formula: C13H13N3O6 MolecularWeight: 307.25882

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C2C(=CC=C1)NC=C2C(C[N+](=O)[O-])C[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=C2C(=CC=C1)NC=C2C(C[N+](=O)[O-])C[N+](=O)[O-]

InChI

InChI=1S/C13H13N3O6/c1-22-13(17)9-3-2-4-11-12(9)10(5-14-11)8(6-15(18)19)7-16(20)21/h2-5,8,14H,6-7H2,1H3