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

Systemtic Name: methyl 3-(1,3-dinitropropyl)-1-(phenylmethyl)indole-4-carboxylate Openeye Name: methyl 1-benzyl-3-(1,3-dinitropropyl)indole-4-carboxylate CAS Name: 3-(1,3-dinitropropyl)-1-(phenylmethyl)-4-indolecarboxylic acid methyl ester IUPAC Name: methyl 1-benzyl-3-(1,3-dinitropropyl)indole-4-carboxylate Traditional Name: 1-benzyl-3-(1,3-dinitropropyl)indole-4-carboxylic acid methyl ester Formula: C20H19N3O6 MolecularWeight: 397.38136

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C2C(=CC=C1)N(C=C2C(CC[N+](=O)[O-])[N+](=O)[O-])CC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=C2C(=CC=C1)N(C=C2C(CC[N+](=O)[O-])[N+](=O)[O-])CC3=CC=CC=C3

InChI

InChI=1S/C20H19N3O6/c1-29-20(24)15-8-5-9-18-19(15)16(17(23(27)28)10-11-22(25)26)13-21(18)12-14-6-3-2-4-7-14/h2-9,13,17H,10-12H2,1H3