1-(2,2-dibutoxyethyl)-2-methyl-5-nitro-3-phenyl-indole

Systemtic Name: 1-(2,2-dibutoxyethyl)-2-methyl-5-nitro-3-phenyl-indole Openeye Name: 1-(2,2-dibutoxyethyl)-2-methyl-5-nitro-3-phenyl-indole CAS Name: 1-(2,2-dibutoxyethyl)-2-methyl-5-nitro-3-phenylindole IUPAC Name: 1-(2,2-dibutoxyethyl)-2-methyl-5-nitro-3-phenylindole Traditional Name: 1-(2,2-dibutoxyethyl)-2-methyl-5-nitro-3-phenyl-indole Formula: C25H32N2O4 MolecularWeight: 424.53258

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(CN1C(=C(C2=C1C=CC(=C2)[N+](=O)[O-])C3=CC=CC=C3)C)OCCCC

Isomeric SMILES

CCCCOC(CN1C(=C(C2=C1C=CC(=C2)[N+](=O)[O-])C3=CC=CC=C3)C)OCCCC

InChI

InChI=1S/C25H32N2O4/c1-4-6-15-30-24(31-16-7-5-2)18-26-19(3)25(20-11-9-8-10-12-20)22-17-21(27(28)29)13-14-23(22)26/h8-14,17,24H,4-7,15-16,18H2,1-3H3