[5-[(5-bromanyl-3-methyl-1H-indol-2-yl)carbonyl]-3-nitro-2-propanoyloxy-phenyl] propanoate

Systemtic Name: [5-[(5-bromanyl-3-methyl-1H-indol-2-yl)carbonyl]-3-nitro-2-propanoyloxy-phenyl] propanoate Openeye Name: [5-(5-bromo-3-methyl-1H-indole-2-carbonyl)-3-nitro-2-propanoyloxy-phenyl] propanoate CAS Name: propanoic acid [5-[(5-bromo-3-methyl-1H-indol-2-yl)-oxomethyl]-3-nitro-2-(1-oxopropoxy)phenyl] ester IUPAC Name: [5-(5-bromo-3-methyl-1H-indole-2-carbonyl)-3-nitro-2-propanoyloxyphenyl] propanoate Traditional Name: propionic acid [5-(5-bromo-3-methyl-1H-indole-2-carbonyl)-3-nitro-2-propionyloxy-phenyl] ester Formula: C22H19BrN2O7 MolecularWeight: 503.29946

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)OC1=CC(=CC(=C1OC(=O)CC)[N+](=O)[O-])C(=O)C2=C(C3=C(N2)C=CC(=C3)Br)C

Isomeric SMILES

CCC(=O)OC1=CC(=CC(=C1OC(=O)CC)[N+](=O)[O-])C(=O)C2=C(C3=C(N2)C=CC(=C3)Br)C

InChI

InChI=1S/C22H19BrN2O7/c1-4-18(26)31-17-9-12(8-16(25(29)30)22(17)32-19(27)5-2)21(28)20-11(3)14-10-13(23)6-7-15(14)24-20/h6-10,24H,4-5H2,1-3H3