methyl 3-(1,3-dinitropropyl)-1-methyl-indole-4-carboxylate

Systemtic Name: methyl 3-(1,3-dinitropropyl)-1-methyl-indole-4-carboxylate Openeye Name: methyl 3-(1,3-dinitropropyl)-1-methyl-indole-4-carboxylate CAS Name: 3-(1,3-dinitropropyl)-1-methyl-4-indolecarboxylic acid methyl ester IUPAC Name: methyl 3-(1,3-dinitropropyl)-1-methylindole-4-carboxylate Traditional Name: 3-(1,3-dinitropropyl)-1-methyl-indole-4-carboxylic acid methyl ester Formula: C14H15N3O6 MolecularWeight: 321.2854

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C2=C(C=CC=C21)C(=O)OC)C(CC[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CN1C=C(C2=C(C=CC=C21)C(=O)OC)C(CC[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C14H15N3O6/c1-15-8-10(11(17(21)22)6-7-16(19)20)13-9(14(18)23-2)4-3-5-12(13)15/h3-5,8,11H,6-7H2,1-2H3